3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one

C14H16ClN3O3 — CID 69065606

IUPAC3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one
SMILESNC1CC(=O)N(c2ccc(N3CCCOC3=O)c(Cl)c2)C1
InChIInChI=1S/C14H16ClN3O3/c15-11-7-10(18-8-9(16)6-13(18)19)2-3-12(11)17-4-1-5-21-14(17)20/h2-3,7,9H,1,4-6,8,16H2
InChIKeyGXGYBIOHTNEAIB-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.75
Rot. Bonds2

About 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one

3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one (PubChem CID 69065606) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one
PubChem CID69065606
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one
SMILESNC1CC(=O)N(c2ccc(N3CCCOC3=O)c(Cl)c2)C1
InChIInChI=1S/C14H16ClN3O3/c15-11-7-10(18-8-9(16)6-13(18)19)2-3-12(11)17-4-1-5-21-14(17)20/h2-3,7,9H,1,4-6,8,16H2
InChIKeyGXGYBIOHTNEAIB-UHFFFAOYSA-N
XLogP1.75
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
3-(2-chloro-4-methylphenyl)-1,3-oxazinan-2-one
CID 58845375
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
CID 168700589
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
3-(4-chlorophenyl)-1,3-oxazinan-2-one
CID 13450496
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one (CID 69065606) is 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one is NC1CC(=O)N(c2ccc(N3CCCOC3=O)c(Cl)c2)C1.
What is the InChIKey of 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one?
The InChIKey is GXGYBIOHTNEAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-11-7-10(18-8-9(16)6-13(18)19)2-3-12(11)17-4-1-5-21-14(17)20/h2-3,7,9H,1,4-6,8,16H2.
What are the key properties of 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one?
3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one has a molecular weight of 309.75 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorophenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 69065606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).