3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine

C12H17N — CID 59284262

IUPAC3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine
SMILESC=C1C=C2CCCCCN2C=C1C
InChIInChI=1S/C12H17N/c1-10-8-12-6-4-3-5-7-13(12)9-11(10)2/h8-9H,1,3-7H2,2H3
InChIKeyFHTNCPDOUBNVNR-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.22
Rot. Bonds

About 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine

3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine (PubChem CID 59284262) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine.

Molecular Properties

Compound Name3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine
PubChem CID59284262
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine
SMILESC=C1C=C2CCCCCN2C=C1C
InChIInChI=1S/C12H17N/c1-10-8-12-6-4-3-5-7-13(12)9-11(10)2/h8-9H,1,3-7H2,2H3
InChIKeyFHTNCPDOUBNVNR-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine?
The IUPAC name of 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine (CID 59284262) is 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine.
What is the SMILES notation for 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine?
The canonical SMILES for 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine is C=C1C=C2CCCCCN2C=C1C.
What is the InChIKey of 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine?
The InChIKey is FHTNCPDOUBNVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-8-12-6-4-3-5-7-13(12)9-11(10)2/h8-9H,1,3-7H2,2H3.
What are the key properties of 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine?
3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine has a molecular weight of 175.27 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine is sourced from PubChem (CID 59284262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).