4-methylidene-5,6-dihydro-1H-2,3-benzoxazine

C9H11NO — CID 167095661

IUPAC4-methylidene-5,6-dihydro-1H-2,3-benzoxazine
SMILESC=C1NOCC2=C1CCC=C2
InChIInChI=1S/C9H11NO/c1-7-9-5-3-2-4-8(9)6-11-10-7/h2,4,10H,1,3,5-6H2
InChIKeyHTOLWVXOHCUVCC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.68
Rot. Bonds

About 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine

4-methylidene-5,6-dihydro-1H-2,3-benzoxazine (PubChem CID 167095661) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine.

Molecular Properties

Compound Name4-methylidene-5,6-dihydro-1H-2,3-benzoxazine
PubChem CID167095661
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methylidene-5,6-dihydro-1H-2,3-benzoxazine
SMILESC=C1NOCC2=C1CCC=C2
InChIInChI=1S/C9H11NO/c1-7-9-5-3-2-4-8(9)6-11-10-7/h2,4,10H,1,3,5-6H2
InChIKeyHTOLWVXOHCUVCC-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine?
The IUPAC name of 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine (CID 167095661) is 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine.
What is the SMILES notation for 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine?
The canonical SMILES for 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine is C=C1NOCC2=C1CCC=C2.
What is the InChIKey of 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine?
The InChIKey is HTOLWVXOHCUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-9-5-3-2-4-8(9)6-11-10-7/h2,4,10H,1,3,5-6H2.
What are the key properties of 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine?
4-methylidene-5,6-dihydro-1H-2,3-benzoxazine has a molecular weight of 149.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5,6-dihydro-1H-2,3-benzoxazine is sourced from PubChem (CID 167095661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).