2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C19H29N3O — CID 126925008

IUPAC2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CC1CCCC1)CCCC2
InChIInChI=1S/C19H29N3O/c23-19-12-16-8-3-4-10-18(16)20-22(19)14-17-9-5-11-21(17)13-15-6-1-2-7-15/h12,15,17H,1-11,13-14H2
InChIKeyQWVDBKOPLKXSGR-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.78
Rot. Bonds4

About 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126925008) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126925008
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CC1CCCC1)CCCC2
InChIInChI=1S/C19H29N3O/c23-19-12-16-8-3-4-10-18(16)20-22(19)14-17-9-5-11-21(17)13-15-6-1-2-7-15/h12,15,17H,1-11,13-14H2
InChIKeyQWVDBKOPLKXSGR-UHFFFAOYSA-N
XLogP2.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924590
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924363
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925125
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925013
2-[[1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925045
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925034
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924917
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924431
2-[[1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924586
2-[[1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924587
2-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924938

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126925008) is 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCCN1CC1CCCC1)CCCC2.
What is the InChIKey of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is QWVDBKOPLKXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19-12-16-8-3-4-10-18(16)20-22(19)14-17-9-5-11-21(17)13-15-6-1-2-7-15/h12,15,17H,1-11,13-14H2.
What are the key properties of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 315.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126925008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).