4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine

C9H15NO — CID 138571735

IUPAC4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
SMILESC=C(C)C1=CCN(C)CCO1
InChIInChI=1S/C9H15NO/c1-8(2)9-4-5-10(3)6-7-11-9/h4H,1,5-7H2,2-3H3
InChIKeyJSWLBOZOQNTINL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds1

About 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine

4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine (PubChem CID 138571735) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine.

Molecular Properties

Compound Name4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
PubChem CID138571735
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
SMILESC=C(C)C1=CCN(C)CCO1
InChIInChI=1S/C9H15NO/c1-8(2)9-4-5-10(3)6-7-11-9/h4H,1,5-7H2,2-3H3
InChIKeyJSWLBOZOQNTINL-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine?
The IUPAC name of 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine (CID 138571735) is 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine.
What is the SMILES notation for 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine?
The canonical SMILES for 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine is C=C(C)C1=CCN(C)CCO1.
What is the InChIKey of 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine?
The InChIKey is JSWLBOZOQNTINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)9-4-5-10(3)6-7-11-9/h4H,1,5-7H2,2-3H3.
What are the key properties of 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine?
4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine has a molecular weight of 153.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine is sourced from PubChem (CID 138571735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).