N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide

C9H13NO — CID 118155165

IUPACN-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide
SMILESC/C=C\C(C)=C/C=N/C(C)=O
InChIInChI=1S/C9H13NO/c1-4-5-8(2)6-7-10-9(3)11/h4-7H,1-3H3/b5-4-,8-6-,10-7+
InChIKeyCODCGYGSEVUYRF-QEMWWCGGSA-N
MW151.21 g/mol
LogP2.13
Rot. Bonds2

About N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide

N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide (PubChem CID 118155165) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide
PubChem CID118155165
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide
SMILESC/C=C\C(C)=C/C=N/C(C)=O
InChIInChI=1S/C9H13NO/c1-4-5-8(2)6-7-10-9(3)11/h4-7H,1-3H3/b5-4-,8-6-,10-7+
InChIKeyCODCGYGSEVUYRF-QEMWWCGGSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide?
The IUPAC name of N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide (CID 118155165) is N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide.
What is the SMILES notation for N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide?
The canonical SMILES for N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide is C/C=C\C(C)=C/C=N/C(C)=O.
What is the InChIKey of N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide?
The InChIKey is CODCGYGSEVUYRF-QEMWWCGGSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-8(2)6-7-10-9(3)11/h4-7H,1-3H3/b5-4-,8-6-,10-7+.
What are the key properties of N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide?
N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide has a molecular weight of 151.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3-methylhexa-2,4-dienylidene]acetamide is sourced from PubChem (CID 118155165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).