ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride

C17H32ClN — CID 143401352

IUPACethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
SMILESC=CC(C=C)=C(/C=C\C)/C(Cl)=N/C.CC.CC.CC
InChIInChI=1S/C11H14ClN.3C2H6/c1-5-8-10(11(12)13-4)9(6-2)7-3;3*1-2/h5-8H,2-3H2,1,4H3;3*1-2H3/b8-5-,13-11-;;;
InChIKeyVCXSCGHTJLHJBX-DUCKYGGESA-N
MW285.90 g/mol
LogP6.58
Rot. Bonds4

About ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride

ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride (PubChem CID 143401352) has the molecular formula C17H32ClN and a molecular weight of 285.90 g/mol. Its IUPAC name is ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Nameethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
PubChem CID143401352
Molecular FormulaC17H32ClN
Molecular Weight285.90 g/mol
Exact Mass285.22
IUPAC Nameethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
SMILESC=CC(C=C)=C(/C=C\C)/C(Cl)=N/C.CC.CC.CC
InChIInChI=1S/C11H14ClN.3C2H6/c1-5-8-10(11(12)13-4)9(6-2)7-3;3*1-2/h5-8H,2-3H2,1,4H3;3*1-2H3/b8-5-,13-11-;;;
InChIKeyVCXSCGHTJLHJBX-DUCKYGGESA-N
XLogP6.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.90
LogP ≤ 56.58
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

2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(E,2E)-2-[(Z)-but-2-enylidene]-3-methyl-N-[(E)-pent-1-enyl]hept-3-enimidoyl chloride
CID 155728858
(Z)-N-[(Z)-2-methylbut-1-enyl]-2-propan-2-ylidenehept-3-enimidoyl chloride
CID 174012339
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401353
(3Z,4E,6Z,8E,10Z)-7-[(E)-1-chloroprop-1-enyl]-3-ethylidene-N-methyl-8,10-bis(prop-1-en-2-yl)dodeca-4,6,8,10-tetraen-2-imine
CID 145549353
(2Z)-N,2,4-trimethylpenta-2,4-dienimidoyl chloride
CID 172320537

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
The IUPAC name of ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride (CID 143401352) is ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride.
What is the SMILES notation for ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
The canonical SMILES for ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride is C=CC(C=C)=C(/C=C\C)/C(Cl)=N/C.CC.CC.CC.
What is the InChIKey of ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
The InChIKey is VCXSCGHTJLHJBX-DUCKYGGESA-N. The full InChI is InChI=1S/C11H14ClN.3C2H6/c1-5-8-10(11(12)13-4)9(6-2)7-3;3*1-2/h5-8H,2-3H2,1,4H3;3*1-2H3/b8-5-,13-11-;;;.
What are the key properties of ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride has a molecular weight of 285.90 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride is sourced from PubChem (CID 143401352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).