2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

C15H16N2O — CID 83207005

IUPAC2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESO=C1CCCCc2cn(Cc3cccnc3)cc21
InChIInChI=1S/C15H16N2O/c18-15-6-2-1-5-13-10-17(11-14(13)15)9-12-4-3-7-16-8-12/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyQSKUYTWMKLWSFI-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.84
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83207005) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83207005
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESO=C1CCCCc2cn(Cc3cccnc3)cc21
InChIInChI=1S/C15H16N2O/c18-15-6-2-1-5-13-10-17(11-14(13)15)9-12-4-3-7-16-8-12/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyQSKUYTWMKLWSFI-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83205586
2-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206534
2-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207378
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
2-[(2,4,6-trimethylphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206662
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207384
2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208701
2-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384555
2-[(5-chlorothiophen-2-yl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208512
1-(2-pyridin-3-ylethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108462
2-pentyl-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206679
2-(3,3-dimethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83208488

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83207005) is 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is O=C1CCCCc2cn(Cc3cccnc3)cc21.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is QSKUYTWMKLWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15-6-2-1-5-13-10-17(11-14(13)15)9-12-4-3-7-16-8-12/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83207005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).