N-ethenylcyclopenta-1,3-dien-1-amine

C7H9N — CID 67050825

IUPACN-ethenylcyclopenta-1,3-dien-1-amine
SMILESC=CNC1=CC=CC1
InChIInChI=1S/C7H9N/c1-2-8-7-5-3-4-6-7/h2-5,8H,1,6H2
InChIKeyBKAIOBNJDGHAGL-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.56
Rot. Bonds2

About N-ethenylcyclopenta-1,3-dien-1-amine

N-ethenylcyclopenta-1,3-dien-1-amine (PubChem CID 67050825) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-ethenylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethenylcyclopenta-1,3-dien-1-amine
PubChem CID67050825
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-ethenylcyclopenta-1,3-dien-1-amine
SMILESC=CNC1=CC=CC1
InChIInChI=1S/C7H9N/c1-2-8-7-5-3-4-6-7/h2-5,8H,1,6H2
InChIKeyBKAIOBNJDGHAGL-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethenylcyclopenta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-ethenylcyclopenta-1,3-dien-1-amine (CID 67050825) is N-ethenylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-ethenylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-ethenylcyclopenta-1,3-dien-1-amine is C=CNC1=CC=CC1.
What is the InChIKey of N-ethenylcyclopenta-1,3-dien-1-amine?
The InChIKey is BKAIOBNJDGHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-8-7-5-3-4-6-7/h2-5,8H,1,6H2.
What are the key properties of N-ethenylcyclopenta-1,3-dien-1-amine?
N-ethenylcyclopenta-1,3-dien-1-amine has a molecular weight of 107.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 67050825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).