ethane;N-ethenyl-2-methylidenebutanimidoyl chloride

C9H16ClN — CID 178177793

IUPACethane;N-ethenyl-2-methylidenebutanimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)CC.CC
InChIInChI=1S/C7H10ClN.C2H6/c1-4-6(3)7(8)9-5-2;1-2/h5H,2-4H2,1H3;1-2H3/b9-7-;
InChIKeyTYOMOAVUZVKKQV-VILQZVERSA-N
MW173.69 g/mol
LogP3.76
Rot. Bonds3

About ethane;N-ethenyl-2-methylidenebutanimidoyl chloride

ethane;N-ethenyl-2-methylidenebutanimidoyl chloride (PubChem CID 178177793) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is ethane;N-ethenyl-2-methylidenebutanimidoyl chloride.

Molecular Properties

Compound Nameethane;N-ethenyl-2-methylidenebutanimidoyl chloride
PubChem CID178177793
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Nameethane;N-ethenyl-2-methylidenebutanimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)CC.CC
InChIInChI=1S/C7H10ClN.C2H6/c1-4-6(3)7(8)9-5-2;1-2/h5H,2-4H2,1H3;1-2H3/b9-7-;
InChIKeyTYOMOAVUZVKKQV-VILQZVERSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 53.76
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-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
CID 123553700
2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl chloride
CID 141818136
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741
ethane;3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610020
N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride
CID 146701421
(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
CID 155274564
3-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 170274527
(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245103
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride
CID 142934742
3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610021

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-2-methylidenebutanimidoyl chloride?
The IUPAC name of ethane;N-ethenyl-2-methylidenebutanimidoyl chloride (CID 178177793) is ethane;N-ethenyl-2-methylidenebutanimidoyl chloride.
What is the SMILES notation for ethane;N-ethenyl-2-methylidenebutanimidoyl chloride?
The canonical SMILES for ethane;N-ethenyl-2-methylidenebutanimidoyl chloride is C=C/N=C(\Cl)C(=C)CC.CC.
What is the InChIKey of ethane;N-ethenyl-2-methylidenebutanimidoyl chloride?
The InChIKey is TYOMOAVUZVKKQV-VILQZVERSA-N. The full InChI is InChI=1S/C7H10ClN.C2H6/c1-4-6(3)7(8)9-5-2;1-2/h5H,2-4H2,1H3;1-2H3/b9-7-;.
What are the key properties of ethane;N-ethenyl-2-methylidenebutanimidoyl chloride?
ethane;N-ethenyl-2-methylidenebutanimidoyl chloride has a molecular weight of 173.69 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-2-methylidenebutanimidoyl chloride is sourced from PubChem (CID 178177793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).