(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one

C12H16N2O — CID 124634560

IUPAC(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
SMILESCCc1cc([C@H]2CNC(=O)C2)ccc1N
InChIInChI=1S/C12H16N2O/c1-2-8-5-9(3-4-11(8)13)10-6-12(15)14-7-10/h3-5,10H,2,6-7,13H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyRVWVPNKEGKEZHY-SNVBAGLBSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds2

About (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one

(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one (PubChem CID 124634560) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
PubChem CID124634560
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
SMILESCCc1cc([C@H]2CNC(=O)C2)ccc1N
InChIInChI=1S/C12H16N2O/c1-2-8-5-9(3-4-11(8)13)10-6-12(15)14-7-10/h3-5,10H,2,6-7,13H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyRVWVPNKEGKEZHY-SNVBAGLBSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
4-[4-amino-3-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 53417791
(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
CID 124634598
4-(3-amino-5-methylphenyl)pyrrolidin-2-one
CID 167592266
[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404
(4S)-4-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634477
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one (CID 124634560) is (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one is CCc1cc([C@H]2CNC(=O)C2)ccc1N.
What is the InChIKey of (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one?
The InChIKey is RVWVPNKEGKEZHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-8-5-9(3-4-11(8)13)10-6-12(15)14-7-10/h3-5,10H,2,6-7,13H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one?
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124634560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).