(3Z,5E)-5-bromohepta-3,5-dien-2-imine

C7H10BrN — CID 156548743

IUPAC(3Z,5E)-5-bromohepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(Br)=C/C
InChIInChI=1S/C7H10BrN/c1-3-7(8)5-4-6(2)9/h3-5,9H,1-2H3/b5-4-,7-3+,9-6+
InChIKeyMBFCCPMYVAALSU-OHOQQYMSSA-N
MW188.07 g/mol
LogP2.88
Rot. Bonds2

About (3Z,5E)-5-bromohepta-3,5-dien-2-imine

(3Z,5E)-5-bromohepta-3,5-dien-2-imine (PubChem CID 156548743) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is (3Z,5E)-5-bromohepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-5-bromohepta-3,5-dien-2-imine
PubChem CID156548743
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name(3Z,5E)-5-bromohepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(Br)=C/C
InChIInChI=1S/C7H10BrN/c1-3-7(8)5-4-6(2)9/h3-5,9H,1-2H3/b5-4-,7-3+,9-6+
InChIKeyMBFCCPMYVAALSU-OHOQQYMSSA-N
XLogP2.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
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

(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 130413517
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
CID 146788075
(Z)-4-iminopent-2-en-1-amine
CID 142289238
(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
N-hexyl-4-iminopent-2-enamide
CID 123662070
(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
CID 143616909
(Z)-5-methoxyhex-3-en-2-imine
CID 123705474

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-bromohepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-5-bromohepta-3,5-dien-2-imine (CID 156548743) is (3Z,5E)-5-bromohepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-5-bromohepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-5-bromohepta-3,5-dien-2-imine is [H]/N=C(C)/C=C\C(Br)=C/C.
What is the InChIKey of (3Z,5E)-5-bromohepta-3,5-dien-2-imine?
The InChIKey is MBFCCPMYVAALSU-OHOQQYMSSA-N. The full InChI is InChI=1S/C7H10BrN/c1-3-7(8)5-4-6(2)9/h3-5,9H,1-2H3/b5-4-,7-3+,9-6+.
What are the key properties of (3Z,5E)-5-bromohepta-3,5-dien-2-imine?
(3Z,5E)-5-bromohepta-3,5-dien-2-imine has a molecular weight of 188.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-bromohepta-3,5-dien-2-imine is sourced from PubChem (CID 156548743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).