1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine

C6H10ClN — CID 169205361

IUPAC1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(/C)CCl
InChIInChI=1S/C6H10ClN/c1-3-4-8-6(2)5-7/h3-4H,5H2,1-2H3/b4-3-,8-6+
InChIKeyFTSPBKUWVPAUSQ-OONGGIDMSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds2

About 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine

1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine (PubChem CID 169205361) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine
PubChem CID169205361
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(/C)CCl
InChIInChI=1S/C6H10ClN/c1-3-4-8-6(2)5-7/h3-4H,5H2,1-2H3/b4-3-,8-6+
InChIKeyFTSPBKUWVPAUSQ-OONGGIDMSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-2-chlorobuta-1,3-dienyl]propan-2-imine
CID 88999115
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
2-chloro-N-[(Z)-prop-1-enyl]ethanimine
CID 121258151
1-chloro-N-ethenylpropan-2-imine
CID 134242926
ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 144648794
1-chloro-N-ethenylbut-3-en-2-imine
CID 145007747
N-[(1E)-2-bromobuta-1,3-dienyl]-1-chloropropan-2-imine
CID 145511396
acetylene;1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine;ethane
CID 169205360
3-chloro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 169567426
3-chloro-N-prop-2-enylbutan-2-imine
CID 12809165
N-[(Z)-prop-1-enyl]propanimidoyl chloride
CID 169205029

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine?
The IUPAC name of 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine (CID 169205361) is 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine?
The canonical SMILES for 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine is C/C=C\N=C(/C)CCl.
What is the InChIKey of 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine?
The InChIKey is FTSPBKUWVPAUSQ-OONGGIDMSA-N. The full InChI is InChI=1S/C6H10ClN/c1-3-4-8-6(2)5-7/h3-4H,5H2,1-2H3/b4-3-,8-6+.
What are the key properties of 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine?
1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine has a molecular weight of 131.61 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(Z)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 169205361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).