6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile

C20H22N4O — CID 170925715

IUPAC6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile
SMILESC=CC(=O)N1CC2(CCN(c3nc4c(cc3C#N)CCC3CC43)C2)C1
InChIInChI=1S/C20H22N4O/c1-2-17(25)24-11-20(12-24)5-6-23(10-20)19-15(9-21)7-14-4-3-13-8-16(13)18(14)22-19/h2,7,13,16H,1,3-6,8,10-12H2
InChIKeyJUZMXVUHLRFEEP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.23
Rot. Bonds2

About 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile

6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile (PubChem CID 170925715) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile.

Molecular Properties

Compound Name6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile
PubChem CID170925715
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile
SMILESC=CC(=O)N1CC2(CCN(c3nc4c(cc3C#N)CCC3CC43)C2)C1
InChIInChI=1S/C20H22N4O/c1-2-17(25)24-11-20(12-24)5-6-23(10-20)19-15(9-21)7-14-4-3-13-8-16(13)18(14)22-19/h2,7,13,16H,1,3-6,8,10-12H2
InChIKeyJUZMXVUHLRFEEP-UHFFFAOYSA-N
XLogP2.23
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile with MolForge

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Related Compounds

(1S,8R)-6-(1,6-dimethylindazol-7-yl)-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-5-carbonitrile
CID 167037290
(1R,9R)-6-(4-fluoro-3-hydroxyphenyl)-10,10-dimethyl-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene-5-carbonitrile
CID 170925775
7-cyclopropyl-4-(2-fluorophenyl)-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 167037529
(2R,4S)-10-(5-methyl-1H-indazol-4-yl)-8-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene-9-carbonitrile
CID 170548516
4-(2-fluoro-5-hydroxyphenyl)-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 167037423
(1R,9S)-6-(2-fluoro-5-hydroxyphenyl)-12-propan-2-yl-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-5-carbonitrile
CID 175995900
6-(2-chloro-5-hydroxyphenyl)-10-propan-2-yl-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3,10-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-5-carbonitrile
CID 167037153
(1R,9R)-6-[3-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-4-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-3-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene-5-carbonitrile
CID 167037985
4-(3-hydroxynaphthalen-1-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carbonitrile
CID 146330532
(1aS,7bR)-4-(1,6-dimethylindazol-7-yl)-6-[(5R)-5-(hydroxymethyl)-2-prop-2-enoyl-2,6-diazaspiro[3.4]octan-6-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile
CID 170548552
(7R)-7-(2-methylpyrazol-3-yl)-4-(4-methyl-1,3-thiazol-5-yl)-2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 170925789
4-(5-methyl-1H-indazol-4-yl)-2-(oxan-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carbonitrile
CID 160857303

Frequently Asked Questions

What is the IUPAC name of 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile?
The IUPAC name of 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile (CID 170925715) is 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile.
What is the SMILES notation for 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile?
The canonical SMILES for 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile is C=CC(=O)N1CC2(CCN(c3nc4c(cc3C#N)CCC3CC43)C2)C1.
What is the InChIKey of 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile?
The InChIKey is JUZMXVUHLRFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-17(25)24-11-20(12-24)5-6-23(10-20)19-15(9-21)7-14-4-3-13-8-16(13)18(14)22-19/h2,7,13,16H,1,3-6,8,10-12H2.
What are the key properties of 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile?
6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[h]quinoline-5-carbonitrile is sourced from PubChem (CID 170925715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).