(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane

C12H20ClN — CID 143344511

IUPAC(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
SMILESC=C/N=C(Cl)/C=C(\C=C)CCC.CC
InChIInChI=1S/C10H14ClN.C2H6/c1-4-7-9(5-2)8-10(11)12-6-3;1-2/h5-6,8H,2-4,7H2,1H3;1-2H3/b9-8+,12-10-;
InChIKeyIFFZBHLAVXOAJP-WXZZQRGHSA-N
MW213.75 g/mol
LogP4.71
Rot. Bonds5

About (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane

(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane (PubChem CID 143344511) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane.

Molecular Properties

Compound Name(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
PubChem CID143344511
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
SMILESC=C/N=C(Cl)/C=C(\C=C)CCC.CC
InChIInChI=1S/C10H14ClN.C2H6/c1-4-7-9(5-2)8-10(11)12-6-3;1-2/h5-6,8H,2-4,7H2,1H3;1-2H3/b9-8+,12-10-;
InChIKeyIFFZBHLAVXOAJP-WXZZQRGHSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 54.71
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

N-[(1Z,3Z)-3-(trifluoromethyl)hepta-1,3-dienyl]ethanimidoyl chloride
CID 171558541
(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404
3-ethenyl-N-methyl-4-[2-(methylideneamino)ethenyl]hexa-2,4-dien-1-imine
CID 90884099
N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine
CID 91089297
(Z)-N-[(1E,3Z)-4-methylhepta-1,3,5-trienyl]oct-5-en-4-imine
CID 91300094
N-(4-chlorohexa-1,3,5-trienyl)hexa-1,4-dien-3-imine
CID 91608116
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine
CID 123158952
N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine
CID 123294669
2-chloro-6-propyl-3H-azepine
CID 123532702
(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
CID 123946891

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane?
The IUPAC name of (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane (CID 143344511) is (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane.
What is the SMILES notation for (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane?
The canonical SMILES for (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane is C=C/N=C(Cl)/C=C(\C=C)CCC.CC.
What is the InChIKey of (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane?
The InChIKey is IFFZBHLAVXOAJP-WXZZQRGHSA-N. The full InChI is InChI=1S/C10H14ClN.C2H6/c1-4-7-9(5-2)8-10(11)12-6-3;1-2/h5-6,8H,2-4,7H2,1H3;1-2H3/b9-8+,12-10-;.
What are the key properties of (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane?
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane has a molecular weight of 213.75 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane is sourced from PubChem (CID 143344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).