3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one

C12H14N2O — CID 114956606

IUPAC3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one
SMILESCc1ccncc1CNC1=CC(=O)CC1
InChIInChI=1S/C12H14N2O/c1-9-4-5-13-7-10(9)8-14-11-2-3-12(15)6-11/h4-7,14H,2-3,8H2,1H3
InChIKeyKEMJMJUQHDHAMJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

About 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one

3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one (PubChem CID 114956606) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one
PubChem CID114956606
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one
SMILESCc1ccncc1CNC1=CC(=O)CC1
InChIInChI=1S/C12H14N2O/c1-9-4-5-13-7-10(9)8-14-11-2-3-12(15)6-11/h4-7,14H,2-3,8H2,1H3
InChIKeyKEMJMJUQHDHAMJ-UHFFFAOYSA-N
XLogP1.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114078615
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114954565
2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114956651

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one (CID 114956606) is 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one is Cc1ccncc1CNC1=CC(=O)CC1.
What is the InChIKey of 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one?
The InChIKey is KEMJMJUQHDHAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-5-13-7-10(9)8-14-11-2-3-12(15)6-11/h4-7,14H,2-3,8H2,1H3.
What are the key properties of 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one?
3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one has a molecular weight of 202.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 114956606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).