(4-methylidenecyclohex-2-en-1-yl)methanimine

C8H11N — CID 123811103

IUPAC(4-methylidenecyclohex-2-en-1-yl)methanimine
SMILES[H]/N=C/C1C=CC(=C)CC1
InChIInChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2,4,6,8-9H,1,3,5H2/b9-6+
InChIKeyVFWFMXWUMQHROB-RMKNXTFCSA-N
MW121.18 g/mol
LogP2.16
Rot. Bonds1

About (4-methylidenecyclohex-2-en-1-yl)methanimine

(4-methylidenecyclohex-2-en-1-yl)methanimine (PubChem CID 123811103) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (4-methylidenecyclohex-2-en-1-yl)methanimine.

Molecular Properties

Compound Name(4-methylidenecyclohex-2-en-1-yl)methanimine
PubChem CID123811103
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(4-methylidenecyclohex-2-en-1-yl)methanimine
SMILES[H]/N=C/C1C=CC(=C)CC1
InChIInChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2,4,6,8-9H,1,3,5H2/b9-6+
InChIKeyVFWFMXWUMQHROB-RMKNXTFCSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.16
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

2-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-imine
CID 123684141
[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 139372794
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
3-Azabicyclo[6.2.2]dodeca-2,7,9-triene
CID 57068287
7-Bicyclo[4.2.0]octa-3,5-dienylmethanimine
CID 57147783
(6-Methanimidoylcyclohex-2-en-1-ylidene)methanone
CID 57305832
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
(Z)-4-ethenylhept-4-en-1-imine
CID 88992986
(Z)-3-cyclohexa-1,3-dien-1-ylprop-2-en-1-imine
CID 88997044

Frequently Asked Questions

What is the IUPAC name of (4-methylidenecyclohex-2-en-1-yl)methanimine?
The IUPAC name of (4-methylidenecyclohex-2-en-1-yl)methanimine (CID 123811103) is (4-methylidenecyclohex-2-en-1-yl)methanimine.
What is the SMILES notation for (4-methylidenecyclohex-2-en-1-yl)methanimine?
The canonical SMILES for (4-methylidenecyclohex-2-en-1-yl)methanimine is [H]/N=C/C1C=CC(=C)CC1.
What is the InChIKey of (4-methylidenecyclohex-2-en-1-yl)methanimine?
The InChIKey is VFWFMXWUMQHROB-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2,4,6,8-9H,1,3,5H2/b9-6+.
What are the key properties of (4-methylidenecyclohex-2-en-1-yl)methanimine?
(4-methylidenecyclohex-2-en-1-yl)methanimine has a molecular weight of 121.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclohex-2-en-1-yl)methanimine is sourced from PubChem (CID 123811103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).