cyclohept-3-en-1-imine

C7H11N — CID 56974028

IUPACcyclohept-3-en-1-imine
SMILES[H]/N=C1\CC=CCCC1
InChIInChI=1S/C7H11N/c8-7-5-3-1-2-4-6-7/h1,3,8H,2,4-6H2/b8-7+
InChIKeyMMVWQWCRRINJAG-BQYQJAHWSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds

About cyclohept-3-en-1-imine

cyclohept-3-en-1-imine (PubChem CID 56974028) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is cyclohept-3-en-1-imine.

Molecular Properties

Compound Namecyclohept-3-en-1-imine
PubChem CID56974028
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namecyclohept-3-en-1-imine
SMILES[H]/N=C1\CC=CCCC1
InChIInChI=1S/C7H11N/c8-7-5-3-1-2-4-6-7/h1,3,8H,2,4-6H2/b8-7+
InChIKeyMMVWQWCRRINJAG-BQYQJAHWSA-N
XLogP2.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexenimine
CID 18766735
Cyclohex-3-en-1-imine
CID 56633611
Cyclohex-4-ene-1,3-diimine
CID 101179917
4-Fluorocyclohept-2-en-1-imine
CID 91309761
2-Fluorocyclohex-3-en-1-imine
CID 123967075
Cyclopent-2-en-1-ylideneazanium
CID 134849200
Cyclohex-2-en-1-ylideneazanium
CID 135014091
(Z)-hex-4-en-2-imine
CID 15841664
(E)-hept-2-en-4-imine
CID 20315733
Cyclohept-4-en-1-imine
CID 21797363
Cyclohept-2-en-1-imine
CID 22213566
(4Z)-cyclooct-4-en-1-imine
CID 22357533

Frequently Asked Questions

What is the IUPAC name of cyclohept-3-en-1-imine?
The IUPAC name of cyclohept-3-en-1-imine (CID 56974028) is cyclohept-3-en-1-imine.
What is the SMILES notation for cyclohept-3-en-1-imine?
The canonical SMILES for cyclohept-3-en-1-imine is [H]/N=C1\CC=CCCC1.
What is the InChIKey of cyclohept-3-en-1-imine?
The InChIKey is MMVWQWCRRINJAG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c8-7-5-3-1-2-4-6-7/h1,3,8H,2,4-6H2/b8-7+.
What are the key properties of cyclohept-3-en-1-imine?
cyclohept-3-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-3-en-1-imine is sourced from PubChem (CID 56974028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).