ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride

C13H24ClN — CID 143343534

IUPACethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
SMILESC/C=C(\C=C/N=C(\C)Cl)CCCC.CC
InChIInChI=1S/C11H18ClN.C2H6/c1-4-6-7-11(5-2)8-9-13-10(3)12;1-2/h5,8-9H,4,6-7H2,1-3H3;1-2H3/b9-8-,11-5-,13-10+;
InChIKeyVBUVOOXRFBQXTA-HKJXASLCSA-N
MW229.80 g/mol
LogP5.32
Rot. Bonds5

About ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride

ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride (PubChem CID 143343534) has the molecular formula C13H24ClN and a molecular weight of 229.80 g/mol. Its IUPAC name is ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride.

Molecular Properties

Compound Nameethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
PubChem CID143343534
Molecular FormulaC13H24ClN
Molecular Weight229.80 g/mol
Exact Mass229.16
IUPAC Nameethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
SMILESC/C=C(\C=C/N=C(\C)Cl)CCCC.CC
InChIInChI=1S/C11H18ClN.C2H6/c1-4-6-7-11(5-2)8-9-13-10(3)12;1-2/h5,8-9H,4,6-7H2,1-3H3;1-2H3/b9-8-,11-5-,13-10+;
InChIKeyVBUVOOXRFBQXTA-HKJXASLCSA-N
XLogP5.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.80
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
CID 123627963
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
pentanoyl chloride;hydrofluoride
CID 174423538
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
3-ethylideneoct-1-ene
CID 91511297
3-prop-1-enylundec-2-enal
CID 54027227
hypochlorous acid;pentanoic acid
CID 157152267
4-ethylidenedeca-2,8-diene
CID 91588113
N-[(Z)-oct-2-en-4-ylidene]methanimidamide
CID 118327149

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride?
The IUPAC name of ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride (CID 143343534) is ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride.
What is the SMILES notation for ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride?
The canonical SMILES for ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride is C/C=C(\C=C/N=C(\C)Cl)CCCC.CC.
What is the InChIKey of ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride?
The InChIKey is VBUVOOXRFBQXTA-HKJXASLCSA-N. The full InChI is InChI=1S/C11H18ClN.C2H6/c1-4-6-7-11(5-2)8-9-13-10(3)12;1-2/h5,8-9H,4,6-7H2,1-3H3;1-2H3/b9-8-,11-5-,13-10+;.
What are the key properties of ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride?
ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride has a molecular weight of 229.80 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride is sourced from PubChem (CID 143343534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).