(Z)-2-bromohept-2-en-1-imine

C7H12BrN — CID 166655516

IUPAC(Z)-2-bromohept-2-en-1-imine
SMILES[H]/N=C/C(Br)=C/CCCC
InChIInChI=1S/C7H12BrN/c1-2-3-4-5-7(8)6-9/h5-6,9H,2-4H2,1H3/b7-5-,9-6+
InChIKeyHAUILXGWZMOFEK-XCZNYUDNSA-N
MW190.08 g/mol
LogP3.10
Rot. Bonds4

About (Z)-2-bromohept-2-en-1-imine

(Z)-2-bromohept-2-en-1-imine (PubChem CID 166655516) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is (Z)-2-bromohept-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-bromohept-2-en-1-imine
PubChem CID166655516
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name(Z)-2-bromohept-2-en-1-imine
SMILES[H]/N=C/C(Br)=C/CCCC
InChIInChI=1S/C7H12BrN/c1-2-3-4-5-7(8)6-9/h5-6,9H,2-4H2,1H3/b7-5-,9-6+
InChIKeyHAUILXGWZMOFEK-XCZNYUDNSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethylhept-2-en-1-imine
CID 146336575
(7Z,9E)-8-bromoheptadeca-7,9-diene
CID 134932125
1,1-dibromotridec-1-ene
CID 14681915
4,5-dimethyldeca-3,5-diene
CID 76540100
(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one
CID 10934991
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
5-butyldec-5-ene
CID 15367252
CID 177343190
CID 177343190
1,2-dibromodec-2-ene
CID 54083778
hexan-1-imine;tetrabromoosmium
CID 175766218
(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine
CID 163302570
(E)-4-N,5-dimethyldec-5-ene-3,4-diimine;ethane;heptane;prop-1-ene
CID 172567141

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromohept-2-en-1-imine?
The IUPAC name of (Z)-2-bromohept-2-en-1-imine (CID 166655516) is (Z)-2-bromohept-2-en-1-imine.
What is the SMILES notation for (Z)-2-bromohept-2-en-1-imine?
The canonical SMILES for (Z)-2-bromohept-2-en-1-imine is [H]/N=C/C(Br)=C/CCCC.
What is the InChIKey of (Z)-2-bromohept-2-en-1-imine?
The InChIKey is HAUILXGWZMOFEK-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H12BrN/c1-2-3-4-5-7(8)6-9/h5-6,9H,2-4H2,1H3/b7-5-,9-6+.
What are the key properties of (Z)-2-bromohept-2-en-1-imine?
(Z)-2-bromohept-2-en-1-imine has a molecular weight of 190.08 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromohept-2-en-1-imine is sourced from PubChem (CID 166655516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).