(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine

C9H14BrN — CID 118449989

IUPAC(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine
SMILESC=C(CC)/N=C(C)/C=C(\C)Br
InChIInChI=1S/C9H14BrN/c1-5-8(3)11-9(4)6-7(2)10/h6H,3,5H2,1-2,4H3/b7-6+,11-9+
InChIKeyIYQLWRFTICWJSX-RXUIJTJXSA-N
MW216.12 g/mol
LogP3.67
Rot. Bonds3

About (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine

(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine (PubChem CID 118449989) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine
PubChem CID118449989
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Name(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine
SMILESC=C(CC)/N=C(C)/C=C(\C)Br
InChIInChI=1S/C9H14BrN/c1-5-8(3)11-9(4)6-7(2)10/h6H,3,5H2,1-2,4H3/b7-6+,11-9+
InChIKeyIYQLWRFTICWJSX-RXUIJTJXSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine
CID 167270420
(E)-2-bromo-4-methylidenehept-2-ene
CID 139476034
methyl N-but-1-en-2-ylethanimidate
CID 177320035
(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
CID 143720548
(3E)-2-bromo-4-ethoxyhexa-1,3-diene
CID 134176188
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
(3E)-4-bromo-2-(difluoromethyl)penta-1,3-diene
CID 118401640
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
CID 171553995
CID 171553995
CID 171375325
CID 171375325
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
(E)-3-bromo-N'-methylbut-2-enimidamide
CID 123167599

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine?
The IUPAC name of (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine (CID 118449989) is (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine?
The canonical SMILES for (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine is C=C(CC)/N=C(C)/C=C(\C)Br.
What is the InChIKey of (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine?
The InChIKey is IYQLWRFTICWJSX-RXUIJTJXSA-N. The full InChI is InChI=1S/C9H14BrN/c1-5-8(3)11-9(4)6-7(2)10/h6H,3,5H2,1-2,4H3/b7-6+,11-9+.
What are the key properties of (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine?
(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine has a molecular weight of 216.12 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine is sourced from PubChem (CID 118449989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).