3-[(4-chlorophenyl)methylamino]oxolan-2-one

C11H12ClNO2 — CID 43823845

IUPAC3-[(4-chlorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2
InChIKeyZAHVCTDIYLOPQT-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.75
Rot. Bonds3

About 3-[(4-chlorophenyl)methylamino]oxolan-2-one

3-[(4-chlorophenyl)methylamino]oxolan-2-one (PubChem CID 43823845) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]oxolan-2-one
PubChem CID43823845
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name3-[(4-chlorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2
InChIKeyZAHVCTDIYLOPQT-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-(4-chlorophenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide
CID 44581184
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
CID 2371650
2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 24936642
Benzamide, p-chloro-N-(2-oxotetrahydro-3-furyl)-
CID 53720
2-(3-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014704
Tert-butyl 2-{[(4-chlorophenyl)methyl]amino}acetate
CID 60678321
3-(benzylamino)dihydrofuran-2(3H)-one hydrochloride
CID 71459713
3-(Benzylamino)oxolan-2-one
CID 43824123
4-Chloro-N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide
CID 53716
(2S)-2-{[(4-chlorophenyl)methyl]amino}propanoic acid
CID 14259254
(3S,4S)-4-(benzylamino)-3-prop-2-enyloxolan-2-one
CID 11020724
(3R,4S)-4-(benzylamino)-3-prop-2-enyloxolan-2-one
CID 11042586

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]oxolan-2-one (CID 43823845) is 3-[(4-chlorophenyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]oxolan-2-one is O=C1OCCC1NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]oxolan-2-one?
The InChIKey is ZAHVCTDIYLOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2.
What are the key properties of 3-[(4-chlorophenyl)methylamino]oxolan-2-one?
3-[(4-chlorophenyl)methylamino]oxolan-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]oxolan-2-one is sourced from PubChem (CID 43823845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).