1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one

C13H18N2O — CID 79015875

IUPAC1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
SMILESCC[C@@H](N)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C13H18N2O/c1-2-12(14)10-5-7-11(8-6-10)15-9-3-4-13(15)16/h5-8,12H,2-4,9,14H2,1H3/t12-/m1/s1
InChIKeySDPSWDSHZGLXOV-GFCCVEGCSA-N
MW218.30 g/mol
LogP2.22
Rot. Bonds3

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

1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one (PubChem CID 79015875) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
PubChem CID79015875
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
SMILESCC[C@@H](N)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C13H18N2O/c1-2-12(14)10-5-7-11(8-6-10)15-9-3-4-13(15)16/h5-8,12H,2-4,9,14H2,1H3/t12-/m1/s1
InChIKeySDPSWDSHZGLXOV-GFCCVEGCSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
CID 169104923
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 141059160
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonate
CID 58755397
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63946908
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one (CID 79015875) is 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one is CC[C@@H](N)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one?
The InChIKey is SDPSWDSHZGLXOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12(14)10-5-7-11(8-6-10)15-9-3-4-13(15)16/h5-8,12H,2-4,9,14H2,1H3/t12-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one?
1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 79015875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).