(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone

C14H17NO3 — CID 110639147

IUPAC(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)C1CCCO1)CCO2
InChIInChI=1S/C14H17NO3/c1-10-4-5-12-11(9-10)15(6-8-18-12)14(16)13-3-2-7-17-13/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeySPZMEFVICHLIBP-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.90
Rot. Bonds1

About (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone

(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone (PubChem CID 110639147) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
PubChem CID110639147
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
SMILESCc1ccc2c(c1)N(C(=O)C1CCCO1)CCO2
InChIInChI=1S/C14H17NO3/c1-10-4-5-12-11(9-10)15(6-8-18-12)14(16)13-3-2-7-17-13/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeySPZMEFVICHLIBP-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2R)-oxolan-2-yl]methanone
CID 96500959
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196
6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 167847220
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 110639185
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 118225622
3-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 118225604
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110639161
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
N-(2-methylcyclohexyl)-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22512928
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-methylbenzoate
CID 46860548

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone (CID 110639147) is (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone is Cc1ccc2c(c1)N(C(=O)C1CCCO1)CCO2.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone?
The InChIKey is SPZMEFVICHLIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-5-12-11(9-10)15(6-8-18-12)14(16)13-3-2-7-17-13/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone?
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 110639147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).