1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one

C15H22N2O — CID 104510978

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N2O/c1-2-3-14-8-15(18)17(11-14)10-13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyJVMVMJHWEPAINF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.29
Rot. Bonds5

About 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one

1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 104510978) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
PubChem CID104510978
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N2O/c1-2-3-14-8-15(18)17(11-14)10-13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyJVMVMJHWEPAINF-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671137
1-[(2-amino-6-bromophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510848
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
1-[[4-(aminomethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691470
3-fluoro-5-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511879
4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168660327
1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510823
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
1-[(3-amino-4-bromophenyl)methyl]-4-ethylpyrrolidin-2-one
CID 115557404
5-hydroxy-4-propyloxolan-2-one;1,2-oxazol-4-ylmethanamine;1-(1,2-oxazol-4-ylmethyl)-4-propylpyrrolidin-2-one;hydrochloride
CID 157083456

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one (CID 104510978) is 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2ccc(CN)cc2)C1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is JVMVMJHWEPAINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-14-8-15(18)17(11-14)10-13-6-4-12(9-16)5-7-13/h4-7,14H,2-3,8-11,16H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one?
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104510978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).