(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine

C6H10BrN — CID 139319459

IUPAC(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine
SMILESC/C=C(Br)\N=C/CC
InChIInChI=1S/C6H10BrN/c1-3-5-8-6(7)4-2/h4-5H,3H2,1-2H3/b6-4-,8-5-
InChIKeyMRSLCHLARQNCBU-VXWIUBPCSA-N
MW176.06 g/mol
LogP2.72
Rot. Bonds2

About (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine

(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine (PubChem CID 139319459) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine
PubChem CID139319459
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine
SMILESC/C=C(Br)\N=C/CC
InChIInChI=1S/C6H10BrN/c1-3-5-8-6(7)4-2/h4-5H,3H2,1-2H3/b6-4-,8-5-
InChIKeyMRSLCHLARQNCBU-VXWIUBPCSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-bromo-N-[(E)-1-fluoroprop-1-enyl]propan-1-imine
CID 144145663
(Z)-N-[(E)-1-bromoprop-1-enyl]ethanimine
CID 89148985
5-bromo-3H-pyrrole
CID 90348664
N-(1-bromoprop-1-enyl)ethanimine
CID 123524980
N-(2-bromoprop-1-enyl)propan-1-imine
CID 123581220
(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine
CID 141911267
(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
(Z)-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine
CID 143579478
(Z)-N-[(E)-1-bromoprop-1-enyl]-2-methylprop-2-en-1-imine
CID 143917093
N-[(E)-1-bromoprop-1-enyl]ethanimine
CID 154044266
(Z)-N-[(E)-1-bromobut-1-enyl]ethanimine
CID 168186470
(Z)-N-(1-bromoethenyl)but-2-en-1-imine
CID 173391942

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine?
The IUPAC name of (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine (CID 139319459) is (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine.
What is the SMILES notation for (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine?
The canonical SMILES for (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine is C/C=C(Br)\N=C/CC.
What is the InChIKey of (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine?
The InChIKey is MRSLCHLARQNCBU-VXWIUBPCSA-N. The full InChI is InChI=1S/C6H10BrN/c1-3-5-8-6(7)4-2/h4-5H,3H2,1-2H3/b6-4-,8-5-.
What are the key properties of (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine?
(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine has a molecular weight of 176.06 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine is sourced from PubChem (CID 139319459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).