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

Name: (6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₇NO₃ — CID 110639147

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	110639147
Molecular Formula	C₁₄H₁₇NO₃
Molecular Weight	247.29 g/mol
Exact Mass	247.12
IUPAC Name	(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
SMILES	Cc1ccc2c(c1)N(C(=O)C1CCCO1)CCO2
InChI	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
InChIKey	SPZMEFVICHLIBP-UHFFFAOYSA-N
XLogP	1.90
TPSA	38.77 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.29
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 110639147 — identifiers, structure, computed properties (public domain)

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