4-amino-5-(2-chlorophenyl)pyrrolidin-2-one

C10H11ClN2O — CID 82284114

IUPAC4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)NC1c1ccccc1Cl
InChIInChI=1S/C10H11ClN2O/c11-7-4-2-1-3-6(7)10-8(12)5-9(14)13-10/h1-4,8,10H,5,12H2,(H,13,14)
InChIKeyTUNYUMSIXKXVMS-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.23
Rot. Bonds1

About 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one

4-amino-5-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 82284114) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID82284114
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)NC1c1ccccc1Cl
InChIInChI=1S/C10H11ClN2O/c11-7-4-2-1-3-6(7)10-8(12)5-9(14)13-10/h1-4,8,10H,5,12H2,(H,13,14)
InChIKeyTUNYUMSIXKXVMS-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
2-(2-chlorophenyl)piperidin-3-amine
CID 82126789
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737010
(4R,5S)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 95450321
(2S,3R,6R)-2,6-bis(2-chlorophenyl)-3-phenylpiperidin-4-one
CID 56669929
1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
CID 132988443
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one (CID 82284114) is 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one is NC1CC(=O)NC1c1ccccc1Cl.
What is the InChIKey of 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is TUNYUMSIXKXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-7-4-2-1-3-6(7)10-8(12)5-9(14)13-10/h1-4,8,10H,5,12H2,(H,13,14).
What are the key properties of 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one?
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 82284114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).