(E)-2-bromo-N-methylpent-2-en-1-imine

C6H10BrN — CID 129112228

IUPAC(E)-2-bromo-N-methylpent-2-en-1-imine
SMILESCC/C=C(Br)\C=N\C
InChIInChI=1S/C6H10BrN/c1-3-4-6(7)5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5+
InChIKeyAPASFPWFGMQUBC-HLQBBKRNSA-N
MW176.06 g/mol
LogP2.38
Rot. Bonds2

About (E)-2-bromo-N-methylpent-2-en-1-imine

(E)-2-bromo-N-methylpent-2-en-1-imine (PubChem CID 129112228) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is (E)-2-bromo-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-bromo-N-methylpent-2-en-1-imine
PubChem CID129112228
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name(E)-2-bromo-N-methylpent-2-en-1-imine
SMILESCC/C=C(Br)\C=N\C
InChIInChI=1S/C6H10BrN/c1-3-4-6(7)5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5+
InChIKeyAPASFPWFGMQUBC-HLQBBKRNSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-methylpent-2-en-1-imine?
The IUPAC name of (E)-2-bromo-N-methylpent-2-en-1-imine (CID 129112228) is (E)-2-bromo-N-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-2-bromo-N-methylpent-2-en-1-imine?
The canonical SMILES for (E)-2-bromo-N-methylpent-2-en-1-imine is CC/C=C(Br)\C=N\C.
What is the InChIKey of (E)-2-bromo-N-methylpent-2-en-1-imine?
The InChIKey is APASFPWFGMQUBC-HLQBBKRNSA-N. The full InChI is InChI=1S/C6H10BrN/c1-3-4-6(7)5-8-2/h4-5H,3H2,1-2H3/b6-4+,8-5+.
What are the key properties of (E)-2-bromo-N-methylpent-2-en-1-imine?
(E)-2-bromo-N-methylpent-2-en-1-imine has a molecular weight of 176.06 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-methylpent-2-en-1-imine is sourced from PubChem (CID 129112228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).