7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine

C12H23NO — CID 123918964

IUPAC7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine
SMILESCCCC1(C)CCCC(C(C)C)=NO1
InChIInChI=1S/C12H23NO/c1-5-8-12(4)9-6-7-11(10(2)3)13-14-12/h10H,5-9H2,1-4H3
InChIKeyNKOZCILSMMXWLN-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.76
Rot. Bonds3

About 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine

7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine (PubChem CID 123918964) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine
PubChem CID123918964
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine
SMILESCCCC1(C)CCCC(C(C)C)=NO1
InChIInChI=1S/C12H23NO/c1-5-8-12(4)9-6-7-11(10(2)3)13-14-12/h10H,5-9H2,1-4H3
InChIKeyNKOZCILSMMXWLN-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine?
The IUPAC name of 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine (CID 123918964) is 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine.
What is the SMILES notation for 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine?
The canonical SMILES for 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine is CCCC1(C)CCCC(C(C)C)=NO1.
What is the InChIKey of 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine?
The InChIKey is NKOZCILSMMXWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-8-12(4)9-6-7-11(10(2)3)13-14-12/h10H,5-9H2,1-4H3.
What are the key properties of 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine?
7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine has a molecular weight of 197.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-7-propyl-5,6-dihydro-4H-oxazepine is sourced from PubChem (CID 123918964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).