10aH-heptalen-1-imine

C12H11N — CID 90890085

IUPAC10aH-heptalen-1-imine
SMILES[H]/N=C1\C=CC=CC2=CC=CC=CC21
InChIInChI=1S/C12H11N/c13-12-9-5-4-7-10-6-2-1-3-8-11(10)12/h1-9,11,13H/b13-12+
InChIKeyOFJFBRJAPHBYCW-OUKQBFOZSA-N
MW169.23 g/mol
LogP2.80
Rot. Bonds

About 10aH-heptalen-1-imine

10aH-heptalen-1-imine (PubChem CID 90890085) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 10aH-heptalen-1-imine.

Molecular Properties

Compound Name10aH-heptalen-1-imine
PubChem CID90890085
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name10aH-heptalen-1-imine
SMILES[H]/N=C1\C=CC=CC2=CC=CC=CC21
InChIInChI=1S/C12H11N/c13-12-9-5-4-7-10-6-2-1-3-8-11(10)12/h1-9,11,13H/b13-12+
InChIKeyOFJFBRJAPHBYCW-OUKQBFOZSA-N
XLogP2.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.80
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
Dibenzocycloheptenimin
CID 129628903
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
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
(5E)-3-methylideneundeca-1,5,7,8,10-pentaen-4-imine
CID 89196194
(4Z,6Z)-2-methylocta-4,6-dien-3-imine
CID 89469247
6aH-pentalen-1-imine
CID 90694057
4a,9a-Dihydrobenzo[7]annulen-5-imine
CID 91161416
3,4,8,9-Tetrahydrobenzo[7]annulen-5-imine
CID 91279690
N-methyl-10aH-heptalen-1-imine
CID 91441446

Frequently Asked Questions

What is the IUPAC name of 10aH-heptalen-1-imine?
The IUPAC name of 10aH-heptalen-1-imine (CID 90890085) is 10aH-heptalen-1-imine.
What is the SMILES notation for 10aH-heptalen-1-imine?
The canonical SMILES for 10aH-heptalen-1-imine is [H]/N=C1\C=CC=CC2=CC=CC=CC21.
What is the InChIKey of 10aH-heptalen-1-imine?
The InChIKey is OFJFBRJAPHBYCW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H11N/c13-12-9-5-4-7-10-6-2-1-3-8-11(10)12/h1-9,11,13H/b13-12+.
What are the key properties of 10aH-heptalen-1-imine?
10aH-heptalen-1-imine has a molecular weight of 169.23 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-heptalen-1-imine is sourced from PubChem (CID 90890085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).