4-bromohept-3-en-2-imine

C7H12BrN — CID 91351423

IUPAC4-bromohept-3-en-2-imine
SMILES[H]/N=C(\C)C=C(Br)CCC
InChIInChI=1S/C7H12BrN/c1-3-4-7(8)5-6(2)9/h5,9H,3-4H2,1-2H3/b7-5?,9-6+
InChIKeyQCFZSENCWSRRCC-MHNMJEMNSA-N
MW190.08 g/mol
LogP3.10
Rot. Bonds3

About 4-bromohept-3-en-2-imine

4-bromohept-3-en-2-imine (PubChem CID 91351423) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is 4-bromohept-3-en-2-imine.

Molecular Properties

Compound Name4-bromohept-3-en-2-imine
PubChem CID91351423
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name4-bromohept-3-en-2-imine
SMILES[H]/N=C(\C)C=C(Br)CCC
InChIInChI=1S/C7H12BrN/c1-3-4-7(8)5-6(2)9/h5,9H,3-4H2,1-2H3/b7-5?,9-6+
InChIKeyQCFZSENCWSRRCC-MHNMJEMNSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 53.10
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

(E)-6-bromohept-5-ene-3,4-diimine
CID 91036194
(E)-3-bromopent-3-en-2-imine
CID 91552796
(Z)-3-bromopent-3-en-2-imine
CID 123224125
(4E)-4-bromohexa-1,4-dien-3-imine
CID 123376670
4-Bromo-3,6-dimethylhepta-3,6-dien-2-imine
CID 123383814
(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
CID 123390438
(Z)-1-bromohex-3-en-2-imine
CID 123501839
(E)-4-bromopent-3-en-2-imine
CID 123619125
(3Z)-5-bromohexa-3,5-dien-2-imine
CID 123659221
(E)-3-bromohex-3-en-2-imine
CID 123684921
(E)-4-bromohex-3-en-2-imine
CID 123781067
4-Bromohexa-1,4-dien-3-imine
CID 123837909

Frequently Asked Questions

What is the IUPAC name of 4-bromohept-3-en-2-imine?
The IUPAC name of 4-bromohept-3-en-2-imine (CID 91351423) is 4-bromohept-3-en-2-imine.
What is the SMILES notation for 4-bromohept-3-en-2-imine?
The canonical SMILES for 4-bromohept-3-en-2-imine is [H]/N=C(\C)C=C(Br)CCC.
What is the InChIKey of 4-bromohept-3-en-2-imine?
The InChIKey is QCFZSENCWSRRCC-MHNMJEMNSA-N. The full InChI is InChI=1S/C7H12BrN/c1-3-4-7(8)5-6(2)9/h5,9H,3-4H2,1-2H3/b7-5?,9-6+.
What are the key properties of 4-bromohept-3-en-2-imine?
4-bromohept-3-en-2-imine has a molecular weight of 190.08 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromohept-3-en-2-imine is sourced from PubChem (CID 91351423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).