2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H27N3O — CID 126924590

IUPAC2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CC1CCCC1)CCC2
InChIInChI=1S/C18H27N3O/c22-18-11-15-7-3-9-17(15)19-21(18)13-16-8-4-10-20(16)12-14-5-1-2-6-14/h11,14,16H,1-10,12-13H2
InChIKeyFUOFBXKHOHCIRD-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.39
Rot. Bonds4

About 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924590) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924590
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1CC1CCCC1)CCC2
InChIInChI=1S/C18H27N3O/c22-18-11-15-7-3-9-17(15)19-21(18)13-16-8-4-10-20(16)12-14-5-1-2-6-14/h11,14,16H,1-10,12-13H2
InChIKeyFUOFBXKHOHCIRD-UHFFFAOYSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924363
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925008
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925125
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-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924526
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-[(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-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924912
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924590) is 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1CC1CCCC1)CCC2.
What is the InChIKey of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is FUOFBXKHOHCIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18-11-15-7-3-9-17(15)19-21(18)13-16-8-4-10-20(16)12-14-5-1-2-6-14/h11,14,16H,1-10,12-13H2.
What are the key properties of 2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 301.43 g/mol, XLogP of 2.39, 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]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).