(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide

C13H23NO — CID 142959993

IUPAC(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
SMILESC/C=C(C)\C(C(=O)NCCC)=C(\C)CC
InChIInChI=1S/C13H23NO/c1-6-9-14-13(15)12(10(4)7-2)11(5)8-3/h7H,6,8-9H2,1-5H3,(H,14,15)/b10-7-,12-11+
InChIKeyWNPXFGCEOVJGQY-UPXUIUAPSA-N
MW209.33 g/mol
LogP3.21
Rot. Bonds5

About (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide

(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide (PubChem CID 142959993) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
PubChem CID142959993
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
SMILESC/C=C(C)\C(C(=O)NCCC)=C(\C)CC
InChIInChI=1S/C13H23NO/c1-6-9-14-13(15)12(10(4)7-2)11(5)8-3/h7H,6,8-9H2,1-5H3,(H,14,15)/b10-7-,12-11+
InChIKeyWNPXFGCEOVJGQY-UPXUIUAPSA-N
XLogP3.21
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 ≤ 53.21
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide?
The IUPAC name of (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide (CID 142959993) is (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide.
What is the SMILES notation for (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide?
The canonical SMILES for (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide is C/C=C(C)\C(C(=O)NCCC)=C(\C)CC.
What is the InChIKey of (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide?
The InChIKey is WNPXFGCEOVJGQY-UPXUIUAPSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-9-14-13(15)12(10(4)7-2)11(5)8-3/h7H,6,8-9H2,1-5H3,(H,14,15)/b10-7-,12-11+.
What are the key properties of (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide?
(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide has a molecular weight of 209.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide is sourced from PubChem (CID 142959993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).