5-methyl-5H-furo[2,3-c]azepine

C9H9NO — CID 70318093

IUPAC5-methyl-5H-furo[2,3-c]azepine
SMILESCC1C=NC=c2occc2=C1
InChIInChI=1S/C9H9NO/c1-7-4-8-2-3-11-9(8)6-10-5-7/h2-7H,1H3
InChIKeyLUTWLGPNILIYTI-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.52
Rot. Bonds

About 5-methyl-5H-furo[2,3-c]azepine

5-methyl-5H-furo[2,3-c]azepine (PubChem CID 70318093) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methyl-5H-furo[2,3-c]azepine.

Molecular Properties

Compound Name5-methyl-5H-furo[2,3-c]azepine
PubChem CID70318093
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-methyl-5H-furo[2,3-c]azepine
SMILESCC1C=NC=c2occc2=C1
InChIInChI=1S/C9H9NO/c1-7-4-8-2-3-11-9(8)6-10-5-7/h2-7H,1H3
InChIKeyLUTWLGPNILIYTI-UHFFFAOYSA-N
XLogP0.52
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5H-furo[2,3-c]azepine?
The IUPAC name of 5-methyl-5H-furo[2,3-c]azepine (CID 70318093) is 5-methyl-5H-furo[2,3-c]azepine.
What is the SMILES notation for 5-methyl-5H-furo[2,3-c]azepine?
The canonical SMILES for 5-methyl-5H-furo[2,3-c]azepine is CC1C=NC=c2occc2=C1.
What is the InChIKey of 5-methyl-5H-furo[2,3-c]azepine?
The InChIKey is LUTWLGPNILIYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-4-8-2-3-11-9(8)6-10-5-7/h2-7H,1H3.
What are the key properties of 5-methyl-5H-furo[2,3-c]azepine?
5-methyl-5H-furo[2,3-c]azepine has a molecular weight of 147.18 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5H-furo[2,3-c]azepine is sourced from PubChem (CID 70318093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).