(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride

C15H24ClN — CID 174012339

IUPAC(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride
SMILESCCC/C=C\C(=C(C)C)/C(Cl)=N/C=C(/C)CC
InChIInChI=1S/C15H24ClN/c1-6-8-9-10-14(12(3)4)15(16)17-11-13(5)7-2/h9-11H,6-8H2,1-5H3/b10-9-,13-11-,17-15-
InChIKeyMYZXJXCYXRRWRF-VHQYWYGGSA-N
MW253.82 g/mol
LogP5.63
Rot. Bonds6

About (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride

(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride (PubChem CID 174012339) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride
PubChem CID174012339
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride
SMILESCCC/C=C\C(=C(C)C)/C(Cl)=N/C=C(/C)CC
InChIInChI=1S/C15H24ClN/c1-6-8-9-10-14(12(3)4)15(16)17-11-13(5)7-2/h9-11H,6-8H2,1-5H3/b10-9-,13-11-,17-15-
InChIKeyMYZXJXCYXRRWRF-VHQYWYGGSA-N
XLogP5.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.82
LogP ≤ 55.63
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride?
The IUPAC name of (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride (CID 174012339) is (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride.
What is the SMILES notation for (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride?
The canonical SMILES for (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride is CCC/C=C\C(=C(C)C)/C(Cl)=N/C=C(/C)CC.
What is the InChIKey of (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride?
The InChIKey is MYZXJXCYXRRWRF-VHQYWYGGSA-N. The full InChI is InChI=1S/C15H24ClN/c1-6-8-9-10-14(12(3)4)15(16)17-11-13(5)7-2/h9-11H,6-8H2,1-5H3/b10-9-,13-11-,17-15-.
What are the key properties of (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride?
(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride has a molecular weight of 253.82 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride is sourced from PubChem (CID 174012339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).