(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine

C11H14BrN — CID 143708002

IUPAC(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C)/C(C)=N/C=C(\C)Br
InChIInChI=1S/C11H14BrN/c1-5-6-7-9(2)11(4)13-8-10(3)12/h5-8H,1-2H2,3-4H3/b7-6-,10-8+,13-11+
InChIKeyOJGOKVSSOPOBJT-FSYKDAPPSA-N
MW240.14 g/mol
LogP4.00
Rot. Bonds4

About (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine

(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine (PubChem CID 143708002) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine
PubChem CID143708002
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine
SMILESC=C/C=C\C(=C)/C(C)=N/C=C(\C)Br
InChIInChI=1S/C11H14BrN/c1-5-6-7-9(2)11(4)13-8-10(3)12/h5-8H,1-2H2,3-4H3/b7-6-,10-8+,13-11+
InChIKeyOJGOKVSSOPOBJT-FSYKDAPPSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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7-bromo-2H-quinazolin-2-ide;propane;yttrium
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CID 68294094
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(4Z)-2-methyl-N-[(Z)-prop-1-enyl]hexa-1,4-dien-3-imine
CID 88960570
6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 89028721
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404
5-[(Z)-but-1-enyl]-6-methyl-2,3-dihydropyridine
CID 89212432
2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
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CID 89357708

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine?
The IUPAC name of (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine (CID 143708002) is (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine.
What is the SMILES notation for (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine?
The canonical SMILES for (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine is C=C/C=C\C(=C)/C(C)=N/C=C(\C)Br.
What is the InChIKey of (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine?
The InChIKey is OJGOKVSSOPOBJT-FSYKDAPPSA-N. The full InChI is InChI=1S/C11H14BrN/c1-5-6-7-9(2)11(4)13-8-10(3)12/h5-8H,1-2H2,3-4H3/b7-6-,10-8+,13-11+.
What are the key properties of (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine?
(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine has a molecular weight of 240.14 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine is sourced from PubChem (CID 143708002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).