1-methyl-7-methylidene-4H-azepine

C8H11N — CID 90791106

IUPAC1-methyl-7-methylidene-4H-azepine
SMILESC=C1C=CCC=CN1C
InChIInChI=1S/C8H11N/c1-8-6-4-3-5-7-9(8)2/h4-7H,1,3H2,2H3
InChIKeyOBXBSYKGBRIIGZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.91
Rot. Bonds

About 1-methyl-7-methylidene-4H-azepine

1-methyl-7-methylidene-4H-azepine (PubChem CID 90791106) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-methyl-7-methylidene-4H-azepine.

Molecular Properties

Compound Name1-methyl-7-methylidene-4H-azepine
PubChem CID90791106
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-methyl-7-methylidene-4H-azepine
SMILESC=C1C=CCC=CN1C
InChIInChI=1S/C8H11N/c1-8-6-4-3-5-7-9(8)2/h4-7H,1,3H2,2H3
InChIKeyOBXBSYKGBRIIGZ-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-quinolizine
CID 9548682
1,2-Dihydro-1,2-dimethylpyridine
CID 407922
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
Pyrido[2,1-a][2]benzazepine
CID 18958943
1-Methyl-2-vinylpyridine
CID 19781255
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
N-methyl-2,6-lutidine
CID 68311864
(3E,5Z)-N-fluoro-N-methylocta-1,3,5-trien-3-amine
CID 141779060
6-Fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
CID 167226768
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
Dihydropyrido[1,2-a]azepine
CID 129873555
Pyrido[1,2-b][2]benzazepine
CID 154926151

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylidene-4H-azepine?
The IUPAC name of 1-methyl-7-methylidene-4H-azepine (CID 90791106) is 1-methyl-7-methylidene-4H-azepine.
What is the SMILES notation for 1-methyl-7-methylidene-4H-azepine?
The canonical SMILES for 1-methyl-7-methylidene-4H-azepine is C=C1C=CCC=CN1C.
What is the InChIKey of 1-methyl-7-methylidene-4H-azepine?
The InChIKey is OBXBSYKGBRIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-8-6-4-3-5-7-9(8)2/h4-7H,1,3H2,2H3.
What are the key properties of 1-methyl-7-methylidene-4H-azepine?
1-methyl-7-methylidene-4H-azepine has a molecular weight of 121.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylidene-4H-azepine is sourced from PubChem (CID 90791106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).