5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile

Name: 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₂N₂ — CID 139221321

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile

SMILESN#CC1=C(N)c2ccccc2CCC1

InChIInChI=1S/C12H12N2/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-2,4,7H,3,5-6,14H2

InChIKeyGSOQXPMCFFJCKM-UHFFFAOYSA-N

MW184.24 g/mol

LogP2.22

Rot. Bonds

About 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile

5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile (PubChem CID 139221321) has the molecular formula C₁₂H₁₂N₂ and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile.

Molecular Properties

Compound Name	5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
PubChem CID	139221321
Molecular Formula	C₁₂H₁₂N₂
Molecular Weight	184.24 g/mol
Exact Mass	184.10
IUPAC Name	5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
SMILES	N#CC1=C(N)c2ccccc2CCC1
InChI	InChI=1S/C12H12N2/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-2,4,7H,3,5-6,14H2
InChIKey	GSOQXPMCFFJCKM-UHFFFAOYSA-N
XLogP	2.22
TPSA	49.81 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.24
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile?

The IUPAC name of 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile (CID 139221321) is 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile.

What is the SMILES notation for 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile?

The canonical SMILES for 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile is N#CC1=C(N)c2ccccc2CCC1.

What is the InChIKey of 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile?

The InChIKey is GSOQXPMCFFJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-2,4,7H,3,5-6,14H2.

What are the key properties of 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile?

5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile is sourced from PubChem (CID 139221321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139221321 — identifiers, structure, computed properties (public domain)

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