3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one

C12H14N2O — CID 104787717

IUPAC3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one
SMILESCN(Cc1ccncc1)C1=CC(=O)CC1
InChIInChI=1S/C12H14N2O/c1-14(11-2-3-12(15)8-11)9-10-4-6-13-7-5-10/h4-8H,2-3,9H2,1H3
InChIKeyOYWHHHJHERMQSQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.76
Rot. Bonds3

About 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one

3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787717) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one
PubChem CID104787717
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one
SMILESCN(Cc1ccncc1)C1=CC(=O)CC1
InChIInChI=1S/C12H14N2O/c1-14(11-2-3-12(15)8-11)9-10-4-6-13-7-5-10/h4-8H,2-3,9H2,1H3
InChIKeyOYWHHHJHERMQSQ-UHFFFAOYSA-N
XLogP1.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(ethyl)amino]cyclopent-2-en-1-one
CID 104787684
2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
CID 60863279
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
N-methyl-N-(pyridin-4-ylmethyl)furan-2-amine
CID 119021959
5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136993976
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
3-(pyridin-4-ylmethyl)cyclohept-2-en-1-one
CID 107382825
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one (CID 104787717) is 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one is CN(Cc1ccncc1)C1=CC(=O)CC1.
What is the InChIKey of 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one?
The InChIKey is OYWHHHJHERMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(11-2-3-12(15)8-11)9-10-4-6-13-7-5-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one?
3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).