1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one

C22H26N4O3 — CID 131671171

IUPAC1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
SMILESO=C(c1ccco1)N1CCc2nc3n(c(=O)c2C1)CCC31CCN(CC2CC2)C1
InChIInChI=1S/C22H26N4O3/c27-19-16-13-25(20(28)18-2-1-11-29-18)8-5-17(16)23-21-22(7-10-26(19)21)6-9-24(14-22)12-15-3-4-15/h1-2,11,15H,3-10,12-14H2
InChIKeyQZXSFYMQSCADBU-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.79
Rot. Bonds3

About 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one

1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one (PubChem CID 131671171) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
PubChem CID131671171
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
SMILESO=C(c1ccco1)N1CCc2nc3n(c(=O)c2C1)CCC31CCN(CC2CC2)C1
InChIInChI=1S/C22H26N4O3/c27-19-16-13-25(20(28)18-2-1-11-29-18)8-5-17(16)23-21-22(7-10-26(19)21)6-9-24(14-22)12-15-3-4-15/h1-2,11,15H,3-10,12-14H2
InChIKeyQZXSFYMQSCADBU-UHFFFAOYSA-N
XLogP1.79
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one with MolForge

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Related Compounds

1'-(cyclopropylmethyl)-11-(2-methylpyrazole-3-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one
CID 131668715
1'-(cyclopropylmethyl)-11-(5-methylpyridine-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one;bis(2,2,2-trifluoroacetic acid)
CID 155861063
2-benzyl-6-(furan-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135458589
[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
CID 131656186
furan-2-yl-(3-methylidenepyrrolidin-1-yl)methanone
CID 164652046
8-oxo-N-propan-2-yl-11-(thiophen-2-ylmethyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide
CID 131671177
(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(furan-2-yl)methanone
CID 71836369
furan-2-yl-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 83279074
8-oxo-N-propan-2-yl-11-(pyridin-3-ylmethyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155859324
furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110872518
[8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155849910
11-[(1-methylpyrazol-4-yl)methyl]-8-oxo-N-propan-2-ylspiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-1'-carboxamide
CID 131671178

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
The IUPAC name of 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one (CID 131671171) is 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one is O=C(c1ccco1)N1CCc2nc3n(c(=O)c2C1)CCC31CCN(CC2CC2)C1.
What is the InChIKey of 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
The InChIKey is QZXSFYMQSCADBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-19-16-13-25(20(28)18-2-1-11-29-18)8-5-17(16)23-21-22(7-10-26(19)21)6-9-24(14-22)12-15-3-4-15/h1-2,11,15H,3-10,12-14H2.
What are the key properties of 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one?
1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one has a molecular weight of 394.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-11-(furan-2-carbonyl)spiro[2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-diene-4,3'-pyrrolidine]-8-one is sourced from PubChem (CID 131671171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).