8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

C15H18N2O3 — CID 71874564

IUPAC8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2c(cccc2C(=O)N2CCC2(C)C)NC1=O
InChIInChI=1S/C15H18N2O3/c1-9-13(18)16-11-6-4-5-10(12(11)20-9)14(19)17-8-7-15(17,2)3/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyPIMRVELJORTZSF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds1

About 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 71874564) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID71874564
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2c(cccc2C(=O)N2CCC2(C)C)NC1=O
InChIInChI=1S/C15H18N2O3/c1-9-13(18)16-11-6-4-5-10(12(11)20-9)14(19)17-8-7-15(17,2)3/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyPIMRVELJORTZSF-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

(3S)-4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]morpholine-3-carboxylic acid
CID 125133068
8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110701892
(2S)-8-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 129470978
6-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)piperidine-3-carboxylic acid
CID 122113645
8-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one;hydrochloride
CID 119487285
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
CID 119135794
(2S)-8-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 97212972
8-[2-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 120738417
N-[1-(2,6-dichlorophenyl)cyclopropyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 139006513
2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701832
2-methyl-N-[3-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119434263

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 71874564) is 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2c(cccc2C(=O)N2CCC2(C)C)NC1=O.
What is the InChIKey of 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is PIMRVELJORTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-13(18)16-11-6-4-5-10(12(11)20-9)14(19)17-8-7-15(17,2)3/h4-6,9H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 71874564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).