4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one

C18H18N2O2 — CID 168661228

IUPAC4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc(C(=O)c3ccccc3)c2)C1
InChIInChI=1S/C18H18N2O2/c19-11-13-9-17(21)20(12-13)16-8-4-7-15(10-16)18(22)14-5-2-1-3-6-14/h1-8,10,13H,9,11-12,19H2
InChIKeyCIDWDPXYOUXUEN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.23
Rot. Bonds4

About 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one (PubChem CID 168661228) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
PubChem CID168661228
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc(C(=O)c3ccccc3)c2)C1
InChIInChI=1S/C18H18N2O2/c19-11-13-9-17(21)20(12-13)16-8-4-7-15(10-16)18(22)14-5-2-1-3-6-14/h1-8,10,13H,9,11-12,19H2
InChIKeyCIDWDPXYOUXUEN-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
S-[[1-(3-benzoylphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668806
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
4-(aminomethyl)-1-(3-ethynylphenyl)pyrrolidin-2-one
CID 168659047
methyl N-[3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659446
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168503934
[1-[3-(hydrazinecarbonyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683124
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one (CID 168661228) is 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one is NCC1CC(=O)N(c2cccc(C(=O)c3ccccc3)c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one?
The InChIKey is CIDWDPXYOUXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-11-13-9-17(21)20(12-13)16-8-4-7-15(10-16)18(22)14-5-2-1-3-6-14/h1-8,10,13H,9,11-12,19H2.
What are the key properties of 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168661228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).