(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine

C10H16ClN — CID 135190246

IUPAC(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine
SMILES[H]/N=C(C)/C(/C=C\C)=C(\C)C(C)Cl
InChIInChI=1S/C10H16ClN/c1-5-6-10(9(4)12)7(2)8(3)11/h5-6,8,12H,1-4H3/b6-5-,10-7+,12-9+
InChIKeyURPKCDTUZSASPV-YKWTYFAOSA-N
MW185.70 g/mol
LogP3.55
Rot. Bonds3

About (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine

(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine (PubChem CID 135190246) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine.

Molecular Properties

Compound Name(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine
PubChem CID135190246
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine
SMILES[H]/N=C(C)/C(/C=C\C)=C(\C)C(C)Cl
InChIInChI=1S/C10H16ClN/c1-5-6-10(9(4)12)7(2)8(3)11/h5-6,8,12H,1-4H3/b6-5-,10-7+,12-9+
InChIKeyURPKCDTUZSASPV-YKWTYFAOSA-N
XLogP3.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine?
The IUPAC name of (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine (CID 135190246) is (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine.
What is the SMILES notation for (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine?
The canonical SMILES for (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine is [H]/N=C(C)/C(/C=C\C)=C(\C)C(C)Cl.
What is the InChIKey of (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine?
The InChIKey is URPKCDTUZSASPV-YKWTYFAOSA-N. The full InChI is InChI=1S/C10H16ClN/c1-5-6-10(9(4)12)7(2)8(3)11/h5-6,8,12H,1-4H3/b6-5-,10-7+,12-9+.
What are the key properties of (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine?
(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine has a molecular weight of 185.70 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine is sourced from PubChem (CID 135190246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).