1-methyl-2,7-dihydroazepine

C7H11N — CID 89372779

IUPAC1-methyl-2,7-dihydroazepine
SMILESCN1CC=CC=CC1
InChIInChI=1S/C7H11N/c1-8-6-4-2-3-5-7-8/h2-5H,6-7H2,1H3
InChIKeyJXTPMPBNBIUCCF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.04
Rot. Bonds

About 1-methyl-2,7-dihydroazepine

1-methyl-2,7-dihydroazepine (PubChem CID 89372779) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-methyl-2,7-dihydroazepine.

Molecular Properties

Compound Name1-methyl-2,7-dihydroazepine
PubChem CID89372779
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-methyl-2,7-dihydroazepine
SMILESCN1CC=CC=CC1
InChIInChI=1S/C7H11N/c1-8-6-4-2-3-5-7-8/h2-5H,6-7H2,1H3
InChIKeyJXTPMPBNBIUCCF-UHFFFAOYSA-N
XLogP1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,7-dihydroazepine?
The IUPAC name of 1-methyl-2,7-dihydroazepine (CID 89372779) is 1-methyl-2,7-dihydroazepine.
What is the SMILES notation for 1-methyl-2,7-dihydroazepine?
The canonical SMILES for 1-methyl-2,7-dihydroazepine is CN1CC=CC=CC1.
What is the InChIKey of 1-methyl-2,7-dihydroazepine?
The InChIKey is JXTPMPBNBIUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-8-6-4-2-3-5-7-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-methyl-2,7-dihydroazepine?
1-methyl-2,7-dihydroazepine has a molecular weight of 109.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,7-dihydroazepine is sourced from PubChem (CID 89372779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).