(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide

C10H15NS — CID 129262502

IUPAC(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide
SMILESC/C=C\C=C(/C=C\C)C(=S)NC
InChIInChI=1S/C10H15NS/c1-4-6-8-9(7-5-2)10(12)11-3/h4-8H,1-3H3,(H,11,12)/b6-4-,7-5-,9-8+
InChIKeyYGFMQSGMWSLWOP-VHIIXJFGSA-N
MW181.30 g/mol
LogP2.61
Rot. Bonds3

About (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide

(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide (PubChem CID 129262502) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide
PubChem CID129262502
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide
SMILESC/C=C\C=C(/C=C\C)C(=S)NC
InChIInChI=1S/C10H15NS/c1-4-6-8-9(7-5-2)10(12)11-3/h4-8H,1-3H3,(H,11,12)/b6-4-,7-5-,9-8+
InChIKeyYGFMQSGMWSLWOP-VHIIXJFGSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide?
The IUPAC name of (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide (CID 129262502) is (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide.
What is the SMILES notation for (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide?
The canonical SMILES for (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide is C/C=C\C=C(/C=C\C)C(=S)NC.
What is the InChIKey of (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide?
The InChIKey is YGFMQSGMWSLWOP-VHIIXJFGSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-6-8-9(7-5-2)10(12)11-3/h4-8H,1-3H3,(H,11,12)/b6-4-,7-5-,9-8+.
What are the key properties of (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide?
(2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide has a molecular weight of 181.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienethioamide is sourced from PubChem (CID 129262502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).