hepta-3,4-dien-1-imine

C7H11N — CID 153083783

IUPAChepta-3,4-dien-1-imine
SMILES[H]/N=C/CC=C=CCC
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h3,5,7-8H,2,6H2,1H3/b8-7+
InChIKeyGRACAAGVLVFWEZ-BQYQJAHWSA-N
MW109.17 g/mol
LogP2.15
Rot. Bonds3

About hepta-3,4-dien-1-imine

hepta-3,4-dien-1-imine (PubChem CID 153083783) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is hepta-3,4-dien-1-imine.

Molecular Properties

Compound Namehepta-3,4-dien-1-imine
PubChem CID153083783
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namehepta-3,4-dien-1-imine
SMILES[H]/N=C/CC=C=CCC
InChIInChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h3,5,7-8H,2,6H2,1H3/b8-7+
InChIKeyGRACAAGVLVFWEZ-BQYQJAHWSA-N
XLogP2.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hepta-3,4-dien-1-imine?
The IUPAC name of hepta-3,4-dien-1-imine (CID 153083783) is hepta-3,4-dien-1-imine.
What is the SMILES notation for hepta-3,4-dien-1-imine?
The canonical SMILES for hepta-3,4-dien-1-imine is [H]/N=C/CC=C=CCC.
What is the InChIKey of hepta-3,4-dien-1-imine?
The InChIKey is GRACAAGVLVFWEZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h3,5,7-8H,2,6H2,1H3/b8-7+.
What are the key properties of hepta-3,4-dien-1-imine?
hepta-3,4-dien-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-3,4-dien-1-imine is sourced from PubChem (CID 153083783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).