4a,9a-dihydrobenzo[7]annulen-5-imine

C11H11N — CID 91161416

IUPAC4a,9a-dihydrobenzo[7]annulen-5-imine
SMILES[H]/N=C1\C=CC=CC2C=CC=CC12
InChIInChI=1S/C11H11N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-10,12H/b12-11+
InChIKeyGJVYMRXJEPTDKU-VAWYXSNFSA-N
MW157.22 g/mol
LogP2.49
Rot. Bonds

About 4a,9a-dihydrobenzo[7]annulen-5-imine

4a,9a-dihydrobenzo[7]annulen-5-imine (PubChem CID 91161416) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4a,9a-dihydrobenzo[7]annulen-5-imine.

Molecular Properties

Compound Name4a,9a-dihydrobenzo[7]annulen-5-imine
PubChem CID91161416
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4a,9a-dihydrobenzo[7]annulen-5-imine
SMILES[H]/N=C1\C=CC=CC2C=CC=CC12
InChIInChI=1S/C11H11N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-10,12H/b12-11+
InChIKeyGJVYMRXJEPTDKU-VAWYXSNFSA-N
XLogP2.49
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 ≤ 52.49
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
Cyclopentadienyl diazobenzene
CID 129856323
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
4a,8-Dihydrobenzo[7]annulen-7-imine
CID 57269660
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916
1-(4-Ethylcyclohexa-2,4-dien-1-yl)ethanimine
CID 88946462
2,8a-Dihydronaphthalene-1,8-diimine
CID 89401691
10aH-heptalen-1-imine
CID 90890085
4,5,6-Trimethylcyclohex-2-en-1-imine
CID 90968842
1-(6-Methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine
CID 91246055

Frequently Asked Questions

What is the IUPAC name of 4a,9a-dihydrobenzo[7]annulen-5-imine?
The IUPAC name of 4a,9a-dihydrobenzo[7]annulen-5-imine (CID 91161416) is 4a,9a-dihydrobenzo[7]annulen-5-imine.
What is the SMILES notation for 4a,9a-dihydrobenzo[7]annulen-5-imine?
The canonical SMILES for 4a,9a-dihydrobenzo[7]annulen-5-imine is [H]/N=C1\C=CC=CC2C=CC=CC12.
What is the InChIKey of 4a,9a-dihydrobenzo[7]annulen-5-imine?
The InChIKey is GJVYMRXJEPTDKU-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H11N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1-10,12H/b12-11+.
What are the key properties of 4a,9a-dihydrobenzo[7]annulen-5-imine?
4a,9a-dihydrobenzo[7]annulen-5-imine has a molecular weight of 157.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9a-dihydrobenzo[7]annulen-5-imine is sourced from PubChem (CID 91161416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).