(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

C17H18N4O — CID 41026737

IUPAC(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESN#C[C@H]1C(=O)NC(N2CCc3ccccc32)=NC12CCCC2
InChIInChI=1S/C17H18N4O/c18-11-13-15(22)19-16(20-17(13)8-3-4-9-17)21-10-7-12-5-1-2-6-14(12)21/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,22)/t13-/m0/s1
InChIKeyZHBSBRAYPWZPJA-ZDUSSCGKSA-N
MW294.36 g/mol
LogP1.99
Rot. Bonds

About (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (PubChem CID 41026737) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.

Molecular Properties

Compound Name(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
PubChem CID41026737
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESN#C[C@H]1C(=O)NC(N2CCc3ccccc32)=NC12CCCC2
InChIInChI=1S/C17H18N4O/c18-11-13-15(22)19-16(20-17(13)8-3-4-9-17)21-10-7-12-5-1-2-6-14(12)21/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,22)/t13-/m0/s1
InChIKeyZHBSBRAYPWZPJA-ZDUSSCGKSA-N
XLogP1.99
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 63660506
1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydroindole
CID 121014609
5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one
CID 135709705
4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1-hydroxy-2H-1,3,5-triazine-2-carbonitrile
CID 118481602
(6S)-9-benzylsulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile
CID 747836
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
(1S)-4-benzylsulfanyl-2-oxo-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile
CID 692313
(4R)-2-(2,3-dihydroindol-1-yl)-4-(2-hydroxyphenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768789
(4S)-2-(2,3-dihydroindol-1-yl)-4-(4-fluorophenyl)-8-methyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136861383
1-(1H-imidazol-5-yl)-2,3-dihydroindole
CID 54328631
1-(3,5-dichlorophenyl)-2,3-dihydroindole
CID 110455009
(4S,5R)-2-(2,3-dihydroindol-1-yl)-6-imino-4-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazine-5-carbonitrile
CID 7029771

Frequently Asked Questions

What is the IUPAC name of (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The IUPAC name of (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (CID 41026737) is (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.
What is the SMILES notation for (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The canonical SMILES for (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is N#C[C@H]1C(=O)NC(N2CCc3ccccc32)=NC12CCCC2.
What is the InChIKey of (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The InChIKey is ZHBSBRAYPWZPJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O/c18-11-13-15(22)19-16(20-17(13)8-3-4-9-17)21-10-7-12-5-1-2-6-14(12)21/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,22)/t13-/m0/s1.
What are the key properties of (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is sourced from PubChem (CID 41026737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).