N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide

C10H13NO — CID 130446244

IUPACN-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide
SMILESC=C/C=C\C(=C/C=C)CNC=O
InChIInChI=1S/C10H13NO/c1-3-5-7-10(6-4-2)8-11-9-12/h3-7,9H,1-2,8H2,(H,11,12)/b7-5-,10-6+
InChIKeyIBGAILWSWHNJHH-ZPRNNRRZSA-N
MW163.22 g/mol
LogP1.59
Rot. Bonds6

About N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide

N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide (PubChem CID 130446244) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide
PubChem CID130446244
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide
SMILESC=C/C=C\C(=C/C=C)CNC=O
InChIInChI=1S/C10H13NO/c1-3-5-7-10(6-4-2)8-11-9-12/h3-7,9H,1-2,8H2,(H,11,12)/b7-5-,10-6+
InChIKeyIBGAILWSWHNJHH-ZPRNNRRZSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide?
The IUPAC name of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide (CID 130446244) is N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide.
What is the SMILES notation for N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide?
The canonical SMILES for N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide is C=C/C=C\C(=C/C=C)CNC=O.
What is the InChIKey of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide?
The InChIKey is IBGAILWSWHNJHH-ZPRNNRRZSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-7-10(6-4-2)8-11-9-12/h3-7,9H,1-2,8H2,(H,11,12)/b7-5-,10-6+.
What are the key properties of N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide?
N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide has a molecular weight of 163.22 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]formamide is sourced from PubChem (CID 130446244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).