5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one

Name: 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₁NO₂ — CID 155726920

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

IUPAC5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one

SMILESC/C=C/c1cc2oc(=O)[nH]c2cc1C

InChIInChI=1S/C11H11NO2/c1-3-4-8-6-10-9(5-7(8)2)12-11(13)14-10/h3-6H,1-2H3,(H,12,13)/b4-3+

InChIKeyZOSODSDTXRXZBU-ONEGZZNKSA-N

MW189.21 g/mol

LogP2.46

Rot. Bonds1

About 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one

5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one (PubChem CID 155726920) has the molecular formula C₁₁H₁₁NO₂ and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name	5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
PubChem CID	155726920
Molecular Formula	C₁₁H₁₁NO₂
Molecular Weight	189.21 g/mol
Exact Mass	189.08
IUPAC Name	5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one
SMILES	C/C=C/c1cc2oc(=O)[nH]c2cc1C
InChI	InChI=1S/C11H11NO2/c1-3-4-8-6-10-9(5-7(8)2)12-11(13)14-10/h3-6H,1-2H3,(H,12,13)/b4-3+
InChIKey	ZOSODSDTXRXZBU-ONEGZZNKSA-N
XLogP	2.46
TPSA	46.00 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.21
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?

The IUPAC name of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one (CID 155726920) is 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one.

What is the SMILES notation for 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?

The canonical SMILES for 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one is C/C=C/c1cc2oc(=O)[nH]c2cc1C.

What is the InChIKey of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?

The InChIKey is ZOSODSDTXRXZBU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-4-8-6-10-9(5-7(8)2)12-11(13)14-10/h3-6H,1-2H3,(H,12,13)/b4-3+.

What are the key properties of 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one?

5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-6-[(E)-prop-1-enyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 155726920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155726920 — identifiers, structure, computed properties (public domain)

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