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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Related Compounds

5-cyclopentylidene-7-ethenylidenecyclohepta-1,3-diene
CID 163536405
bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
ethane;6-prop-1-en-2-ylcyclohepta-1,3,5-trien-1-amine
CID 172570621
5,7-dimethylidenecyclohepta-1,3-dien-1-amine
CID 163991597
methyl 2-(5-aminocyclohexa-2,4-dien-1-ylidene)acetate
CID 66758734
5-(oxomethylidene)cyclohexa-1,3-diene-1-sulfonamide
CID 88924338
cycloocta-1,3,5,7-tetraene-1,5-diamine
CID 158390610
5-ethenylidene-2-nitrosocyclohexa-1,3-diene
CID 163571744
bicyclo[2.2.1]hepta-1,3,5-triene;cyanamide
CID 22149260
4-methylcyclohepta-1,3,5-trien-1-amine;molecular hydrogen
CID 143190843
cyclohepta-1,3,5-triene-1,4-diamine
CID 145013911
5-(methoxyiminomethylidene)cyclohexa-1,3-diene-1-carboxylic acid
CID 22500344

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).