(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine

C10H13N — CID 70254319

IUPAC(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine
SMILESC/C1=C/N=C\C/C=C\C=C/C1
InChIInChI=1S/C10H13N/c1-10-7-5-3-2-4-6-8-11-9-10/h2-5,8-9H,6-7H2,1H3/b4-2-,5-3-,10-9-,11-8-
InChIKeyJDQQHMPSBQUDEL-BHVFBNFPSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds

About (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine

(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine (PubChem CID 70254319) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine.

Molecular Properties

Compound Name(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine
PubChem CID70254319
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine
SMILESC/C1=C/N=C\C/C=C\C=C/C1
InChIInChI=1S/C10H13N/c1-10-7-5-3-2-4-6-8-11-9-10/h2-5,8-9H,6-7H2,1H3/b4-2-,5-3-,10-9-,11-8-
InChIKeyJDQQHMPSBQUDEL-BHVFBNFPSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine?
The IUPAC name of (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine (CID 70254319) is (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine.
What is the SMILES notation for (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine?
The canonical SMILES for (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine is C/C1=C/N=C\C/C=C\C=C/C1.
What is the InChIKey of (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine?
The InChIKey is JDQQHMPSBQUDEL-BHVFBNFPSA-N. The full InChI is InChI=1S/C10H13N/c1-10-7-5-3-2-4-6-8-11-9-10/h2-5,8-9H,6-7H2,1H3/b4-2-,5-3-,10-9-,11-8-.
What are the key properties of (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine?
(4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,9Z)-9-methyl-3,8-dihydroazecine is sourced from PubChem (CID 70254319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).