(Z)-3-bromopent-3-en-2-imine

C5H8BrN — CID 123224125

IUPAC(Z)-3-bromopent-3-en-2-imine
SMILES[H]/N=C(C)/C(Br)=C/C
InChIInChI=1S/C5H8BrN/c1-3-5(6)4(2)7/h3,7H,1-2H3/b5-3-,7-4+
InChIKeyOBQPSLLZCTVPNX-XKSOLRDRSA-N
MW162.03 g/mol
LogP2.32
Rot. Bonds1

About (Z)-3-bromopent-3-en-2-imine

(Z)-3-bromopent-3-en-2-imine (PubChem CID 123224125) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is (Z)-3-bromopent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-bromopent-3-en-2-imine
PubChem CID123224125
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC Name(Z)-3-bromopent-3-en-2-imine
SMILES[H]/N=C(C)/C(Br)=C/C
InChIInChI=1S/C5H8BrN/c1-3-5(6)4(2)7/h3,7H,1-2H3/b5-3-,7-4+
InChIKeyOBQPSLLZCTVPNX-XKSOLRDRSA-N
XLogP2.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 52.32
H-Bond Donors ≤ 51
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 (Z)-3-bromopent-3-en-2-imine?
The IUPAC name of (Z)-3-bromopent-3-en-2-imine (CID 123224125) is (Z)-3-bromopent-3-en-2-imine.
What is the SMILES notation for (Z)-3-bromopent-3-en-2-imine?
The canonical SMILES for (Z)-3-bromopent-3-en-2-imine is [H]/N=C(C)/C(Br)=C/C.
What is the InChIKey of (Z)-3-bromopent-3-en-2-imine?
The InChIKey is OBQPSLLZCTVPNX-XKSOLRDRSA-N. The full InChI is InChI=1S/C5H8BrN/c1-3-5(6)4(2)7/h3,7H,1-2H3/b5-3-,7-4+.
What are the key properties of (Z)-3-bromopent-3-en-2-imine?
(Z)-3-bromopent-3-en-2-imine has a molecular weight of 162.03 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bromopent-3-en-2-imine is sourced from PubChem (CID 123224125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).