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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Related Compounds

N-ethyl-N-[2-[(3E,5Z)-3-fluoro-5-methylhepta-1,3,5-trien-2-yl]oxyethyl]-2-methoxyethanamine
CID 142114831
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
CID 134534485
5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
5,10-Dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 142260943
6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
CID 142483680
N,N-dimethyl-2-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-3-yl]oxyethanamine
CID 142506472
6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 142511832
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
CID 142981286
N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine
CID 143509676
N,N-diethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethanamine;ethane
CID 143935676

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).