4H-benzo[7]annulen-7-amine

C11H11N — CID 19915662

IUPAC4H-benzo[7]annulen-7-amine
SMILESNC1=CC=C2CC=CC=C2C=C1
InChIInChI=1S/C11H11N/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-3,5-8H,4,12H2
InChIKeyFQIKPLTZJWQHDJ-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.21
Rot. Bonds

About 4H-benzo[7]annulen-7-amine

4H-benzo[7]annulen-7-amine (PubChem CID 19915662) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4H-benzo[7]annulen-7-amine.

Molecular Properties

Compound Name4H-benzo[7]annulen-7-amine
PubChem CID19915662
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4H-benzo[7]annulen-7-amine
SMILESNC1=CC=C2CC=CC=C2C=C1
InChIInChI=1S/C11H11N/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-3,5-8H,4,12H2
InChIKeyFQIKPLTZJWQHDJ-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4H-benzo[7]annulen-7-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 4H-benzo[7]annulen-7-amine?
The IUPAC name of 4H-benzo[7]annulen-7-amine (CID 19915662) is 4H-benzo[7]annulen-7-amine.
What is the SMILES notation for 4H-benzo[7]annulen-7-amine?
The canonical SMILES for 4H-benzo[7]annulen-7-amine is NC1=CC=C2CC=CC=C2C=C1.
What is the InChIKey of 4H-benzo[7]annulen-7-amine?
The InChIKey is FQIKPLTZJWQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-3,5-8H,4,12H2.
What are the key properties of 4H-benzo[7]annulen-7-amine?
4H-benzo[7]annulen-7-amine has a molecular weight of 157.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[7]annulen-7-amine is sourced from PubChem (CID 19915662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).