1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one

C12H15N3O — CID 168685445

IUPAC1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(CN)ccn2)C1
InChIInChI=1S/C12H15N3O/c1-2-9-6-12(16)15(8-9)11-5-10(7-13)3-4-14-11/h2-5,9H,1,6-8,13H2
InChIKeyLPNJCQMFMOBJOO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.08
Rot. Bonds3

About 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one

1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168685445) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
PubChem CID168685445
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(CN)ccn2)C1
InChIInChI=1S/C12H15N3O/c1-2-9-6-12(16)15(8-9)11-5-10(7-13)3-4-14-11/h2-5,9H,1,6-8,13H2
InChIKeyLPNJCQMFMOBJOO-UHFFFAOYSA-N
XLogP1.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

S-[[1-[4-(aminomethyl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667798
6-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-2-one
CID 168686542
1-(2,4-dimethyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684838
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
1-(5,6-dibromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686161
4-hydroxy-1-[4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168704116
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419
1-(5-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685937
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329
1-(5-chloro-4-methyl-2-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684694
1-(2-bromo-4-methyl-3-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168684837
1-(4-bromopyrimidin-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686679

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one (CID 168685445) is 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(CN)ccn2)C1.
What is the InChIKey of 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is LPNJCQMFMOBJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-9-6-12(16)15(8-9)11-5-10(7-13)3-4-14-11/h2-5,9H,1,6-8,13H2.
What are the key properties of 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one?
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).