5-ethenylidenecyclohexa-1,3-dien-1-amine

C8H9N — CID 176522524

IUPAC5-ethenylidenecyclohexa-1,3-dien-1-amine
SMILESC=C=C1C=CC=C(N)C1
InChIInChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h3-5H,1,6,9H2
InChIKeyQOMPSMUMXYVJRW-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.50
Rot. Bonds

About 5-ethenylidenecyclohexa-1,3-dien-1-amine

5-ethenylidenecyclohexa-1,3-dien-1-amine (PubChem CID 176522524) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 5-ethenylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-ethenylidenecyclohexa-1,3-dien-1-amine
PubChem CID176522524
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name5-ethenylidenecyclohexa-1,3-dien-1-amine
SMILESC=C=C1C=CC=C(N)C1
InChIInChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h3-5H,1,6,9H2
InChIKeyQOMPSMUMXYVJRW-UHFFFAOYSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-ethenylidenecyclohexa-1,3-dien-1-amine (CID 176522524) is 5-ethenylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-ethenylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-ethenylidenecyclohexa-1,3-dien-1-amine is C=C=C1C=CC=C(N)C1.
What is the InChIKey of 5-ethenylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is QOMPSMUMXYVJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h3-5H,1,6,9H2.
What are the key properties of 5-ethenylidenecyclohexa-1,3-dien-1-amine?
5-ethenylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 119.17 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 176522524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).