1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one

C14H20N2O — CID 28658925

IUPAC1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
SMILESCCCNCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-2-9-15-11-12-5-7-13(8-6-12)16-10-3-4-14(16)17/h5-8,15H,2-4,9-11H2,1H3
InChIKeyHNNWIZKDWWGHRL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.31
Rot. Bonds5

About 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one

1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one (PubChem CID 28658925) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
PubChem CID28658925
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
SMILESCCCNCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-2-9-15-11-12-5-7-13(8-6-12)16-10-3-4-14(16)17/h5-8,15H,2-4,9-11H2,1H3
InChIKeyHNNWIZKDWWGHRL-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea
CID 8716486
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 28878132
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
1-ethyl-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413084

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one (CID 28658925) is 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one is CCCNCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one?
The InChIKey is HNNWIZKDWWGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-9-15-11-12-5-7-13(8-6-12)16-10-3-4-14(16)17/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one?
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28658925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).