6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine

C9H15NO — CID 91166624

IUPAC6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESCC=CC1=C(C)CNCCO1
InChIInChI=1S/C9H15NO/c1-3-4-9-8(2)7-10-5-6-11-9/h3-4,10H,5-7H2,1-2H3
InChIKeyBCVWUKZLRZSYGB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds1

About 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine

6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine (PubChem CID 91166624) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine.

Molecular Properties

Compound Name6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine
PubChem CID91166624
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESCC=CC1=C(C)CNCCO1
InChIInChI=1S/C9H15NO/c1-3-4-9-8(2)7-10-5-6-11-9/h3-4,10H,5-7H2,1-2H3
InChIKeyBCVWUKZLRZSYGB-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine?
The IUPAC name of 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine (CID 91166624) is 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine.
What is the SMILES notation for 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine?
The canonical SMILES for 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine is CC=CC1=C(C)CNCCO1.
What is the InChIKey of 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine?
The InChIKey is BCVWUKZLRZSYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-9-8(2)7-10-5-6-11-9/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine?
6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine is sourced from PubChem (CID 91166624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).