2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one

C14H16N2O3 — CID 110683016

IUPAC2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)N3CCCC3)cc2NC1=O
InChIInChI=1S/C14H16N2O3/c1-9-13(17)15-11-8-10(4-5-12(11)19-9)14(18)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyAAMZIDMQRCCNIM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.64
Rot. Bonds1

About 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 110683016) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID110683016
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)N3CCCC3)cc2NC1=O
InChIInChI=1S/C14H16N2O3/c1-9-13(17)15-11-8-10(4-5-12(11)19-9)14(18)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyAAMZIDMQRCCNIM-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-acetyl-1,4-diazepane-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110805560
2-methyl-6-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110806909
6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 154806885
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 110770503
6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119316472
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904
6-[1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 154862512
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
2-methyl-6-(pyrrolidine-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 116916888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one (CID 110683016) is 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)N3CCCC3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is AAMZIDMQRCCNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-13(17)15-11-8-10(4-5-12(11)19-9)14(18)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 260.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110683016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).