ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride

C7H14ClN — CID 144648794

IUPACethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride
SMILESC/C=C\N=C(/C)Cl.CC
InChIInChI=1S/C5H8ClN.C2H6/c1-3-4-7-5(2)6;1-2/h3-4H,1-2H3;1-2H3/b4-3-,7-5+;
InChIKeyDJRYJTXNQGEBLU-LMMDHOJISA-N
MW147.65 g/mol
LogP3.20
Rot. Bonds1

About ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride

ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride (PubChem CID 144648794) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride
PubChem CID144648794
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Nameethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride
SMILESC/C=C\N=C(/C)Cl.CC
InChIInChI=1S/C5H8ClN.C2H6/c1-3-4-7-5(2)6;1-2/h3-4H,1-2H3;1-2H3/b4-3-,7-5+;
InChIKeyDJRYJTXNQGEBLU-LMMDHOJISA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride
CID 174320512
N-prop-2-enylethanimidoyl chloride
CID 134920005
N-[(1E)-2-chlorobuta-1,3-dienyl]propan-2-imine
CID 88999115
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
2-chloro-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 89595732
(E)-3-chloro-N-ethenylbut-2-enimidoyl chloride
CID 89969445
N-[(1E)-1-chlorobuta-1,3-dienyl]ethanimine
CID 91109033
2-Chloro-1-azacyclohepta-1,3,4,6-tetraene
CID 91547907
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
2-chloro-N-[(Z)-prop-1-enyl]ethanimine
CID 121258151
N-[(1Z,3E)-4-chlorobuta-1,3-dienyl]ethanimine
CID 122647089
N-(1-chloroprop-1-enyl)prop-2-en-1-imine
CID 123266589

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride (CID 144648794) is ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride is C/C=C\N=C(/C)Cl.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride?
The InChIKey is DJRYJTXNQGEBLU-LMMDHOJISA-N. The full InChI is InChI=1S/C5H8ClN.C2H6/c1-3-4-7-5(2)6;1-2/h3-4H,1-2H3;1-2H3/b4-3-,7-5+;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride?
ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride has a molecular weight of 147.65 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]ethanimidoyl chloride is sourced from PubChem (CID 144648794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).