4a,8-dihydrobenzo[7]annulen-7-imine

C11H11N — CID 57269660

IUPAC4a,8-dihydrobenzo[7]annulen-7-imine
SMILES[H]/N=C1\C=CC2C=CC=CC2=CC1
InChIInChI=1S/C11H11N/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-7,9,12H,8H2/b12-11+
InChIKeySQNZDSVFNWKCFM-VAWYXSNFSA-N
MW157.22 g/mol
LogP2.63
Rot. Bonds

About 4a,8-dihydrobenzo[7]annulen-7-imine

4a,8-dihydrobenzo[7]annulen-7-imine (PubChem CID 57269660) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4a,8-dihydrobenzo[7]annulen-7-imine.

Molecular Properties

Compound Name4a,8-dihydrobenzo[7]annulen-7-imine
PubChem CID57269660
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4a,8-dihydrobenzo[7]annulen-7-imine
SMILES[H]/N=C1\C=CC2C=CC=CC2=CC1
InChIInChI=1S/C11H11N/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-7,9,12H,8H2/b12-11+
InChIKeySQNZDSVFNWKCFM-VAWYXSNFSA-N
XLogP2.63
TPSA23.85 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
Dibenzocycloheptenimin
CID 129628903
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
4-Fluoro-6-methylcyclohexa-2,4-dien-1-imine
CID 137389633
4-(3,4-Diiminocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-diimine
CID 90903828
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402

Frequently Asked Questions

What is the IUPAC name of 4a,8-dihydrobenzo[7]annulen-7-imine?
The IUPAC name of 4a,8-dihydrobenzo[7]annulen-7-imine (CID 57269660) is 4a,8-dihydrobenzo[7]annulen-7-imine.
What is the SMILES notation for 4a,8-dihydrobenzo[7]annulen-7-imine?
The canonical SMILES for 4a,8-dihydrobenzo[7]annulen-7-imine is [H]/N=C1\C=CC2C=CC=CC2=CC1.
What is the InChIKey of 4a,8-dihydrobenzo[7]annulen-7-imine?
The InChIKey is SQNZDSVFNWKCFM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H11N/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-7,9,12H,8H2/b12-11+.
What are the key properties of 4a,8-dihydrobenzo[7]annulen-7-imine?
4a,8-dihydrobenzo[7]annulen-7-imine has a molecular weight of 157.22 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dihydrobenzo[7]annulen-7-imine is sourced from PubChem (CID 57269660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).