N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide

C13H23NO — CID 138496325

IUPACN-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide
SMILESCC(=O)NCC(/C=C\C(C)C)=C/C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)6-7-13(8-11(3)4)9-14-12(5)15/h6-8,10-11H,9H2,1-5H3,(H,14,15)/b7-6-,13-8+
InChIKeyKBVQNSBEXGSXCM-ONVRAGQBSA-N
MW209.33 g/mol
LogP2.92
Rot. Bonds5

About N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide

N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide (PubChem CID 138496325) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide
PubChem CID138496325
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide
SMILESCC(=O)NCC(/C=C\C(C)C)=C/C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)6-7-13(8-11(3)4)9-14-12(5)15/h6-8,10-11H,9H2,1-5H3,(H,14,15)/b7-6-,13-8+
InChIKeyKBVQNSBEXGSXCM-ONVRAGQBSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide?
The IUPAC name of N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide (CID 138496325) is N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide.
What is the SMILES notation for N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide?
The canonical SMILES for N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide is CC(=O)NCC(/C=C\C(C)C)=C/C(C)C.
What is the InChIKey of N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide?
The InChIKey is KBVQNSBEXGSXCM-ONVRAGQBSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)6-7-13(8-11(3)4)9-14-12(5)15/h6-8,10-11H,9H2,1-5H3,(H,14,15)/b7-6-,13-8+.
What are the key properties of N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide?
N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide has a molecular weight of 209.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-5-methyl-2-(2-methylpropylidene)hex-3-enyl]acetamide is sourced from PubChem (CID 138496325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).