(5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone

C14H20N2O — CID 142032547

IUPAC(5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone
SMILESCC1C=C2C(=CCC1)CN2C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O/c1-11-5-4-6-12-10-16(13(12)9-11)14(17)15-7-2-3-8-15/h6,9,11H,2-5,7-8,10H2,1H3
InChIKeyBVBNFYQMYRQTQU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.76
Rot. Bonds

About (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone

(5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone (PubChem CID 142032547) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone
PubChem CID142032547
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone
SMILESCC1C=C2C(=CCC1)CN2C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O/c1-11-5-4-6-12-10-16(13(12)9-11)14(17)15-7-2-3-8-15/h6,9,11H,2-5,7-8,10H2,1H3
InChIKeyBVBNFYQMYRQTQU-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 106313552
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 66794856
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
CID 166214944
3-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106316277
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
CID 106668555
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
1-(pyrrolidine-1-carbonyl)piperidin-4-one
CID 59312557
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159866
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372

Frequently Asked Questions

What is the IUPAC name of (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone (CID 142032547) is (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone is CC1C=C2C(=CCC1)CN2C(=O)N1CCCC1.
What is the InChIKey of (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BVBNFYQMYRQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-4-6-12-10-16(13(12)9-11)14(17)15-7-2-3-8-15/h6,9,11H,2-5,7-8,10H2,1H3.
What are the key properties of (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone?
(5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 232.33 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-8-azabicyclo[5.2.0]nona-1,6-dien-8-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142032547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).