(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride

C10H16ClN — CID 155274564

IUPAC(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
SMILESC/C=C\N=C(Cl)\C(C)=C\CCC
InChIInChI=1S/C10H16ClN/c1-4-6-7-9(3)10(11)12-8-5-2/h5,7-8H,4,6H2,1-3H3/b8-5-,9-7+,12-10-
InChIKeyHFBCPGQPLKFCPS-NEOPQZFMSA-N
MW185.70 g/mol
LogP3.90
Rot. Bonds4

About (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride

(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride (PubChem CID 155274564) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
PubChem CID155274564
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
SMILESC/C=C\N=C(Cl)\C(C)=C\CCC
InChIInChI=1S/C10H16ClN/c1-4-6-7-9(3)10(11)12-8-5-2/h5,7-8H,4,6H2,1-3H3/b8-5-,9-7+,12-10-
InChIKeyHFBCPGQPLKFCPS-NEOPQZFMSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
The IUPAC name of (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride (CID 155274564) is (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride.
What is the SMILES notation for (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
The canonical SMILES for (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride is C/C=C\N=C(Cl)\C(C)=C\CCC.
What is the InChIKey of (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
The InChIKey is HFBCPGQPLKFCPS-NEOPQZFMSA-N. The full InChI is InChI=1S/C10H16ClN/c1-4-6-7-9(3)10(11)12-8-5-2/h5,7-8H,4,6H2,1-3H3/b8-5-,9-7+,12-10-.
What are the key properties of (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride?
(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride has a molecular weight of 185.70 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride is sourced from PubChem (CID 155274564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).