cyclohepta[f]isoindol-5-amine

C13H10N2 — CID 172544255

IUPACcyclohepta[f]isoindol-5-amine
SMILESNc1ccccc2cc3cncc3cc12
InChIInChI=1S/C13H10N2/c14-13-4-2-1-3-9-5-10-7-15-8-11(10)6-12(9)13/h1-8H,14H2
InChIKeyPFCIRAGAXCEREV-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.97
Rot. Bonds

About cyclohepta[f]isoindol-5-amine

cyclohepta[f]isoindol-5-amine (PubChem CID 172544255) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is cyclohepta[f]isoindol-5-amine.

Molecular Properties

Compound Namecyclohepta[f]isoindol-5-amine
PubChem CID172544255
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Namecyclohepta[f]isoindol-5-amine
SMILESNc1ccccc2cc3cncc3cc12
InChIInChI=1S/C13H10N2/c14-13-4-2-1-3-9-5-10-7-15-8-11(10)6-12(9)13/h1-8H,14H2
InChIKeyPFCIRAGAXCEREV-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohepta[f]isoindol-5-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 cyclohepta[f]isoindol-5-amine?
The IUPAC name of cyclohepta[f]isoindol-5-amine (CID 172544255) is cyclohepta[f]isoindol-5-amine.
What is the SMILES notation for cyclohepta[f]isoindol-5-amine?
The canonical SMILES for cyclohepta[f]isoindol-5-amine is Nc1ccccc2cc3cncc3cc12.
What is the InChIKey of cyclohepta[f]isoindol-5-amine?
The InChIKey is PFCIRAGAXCEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c14-13-4-2-1-3-9-5-10-7-15-8-11(10)6-12(9)13/h1-8H,14H2.
What are the key properties of cyclohepta[f]isoindol-5-amine?
cyclohepta[f]isoindol-5-amine has a molecular weight of 194.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[f]isoindol-5-amine is sourced from PubChem (CID 172544255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).