N-[(E)-but-2-enyl]-4-methylpentanamide

C10H19NO — CID 130295959

IUPACN-[(E)-but-2-enyl]-4-methylpentanamide
SMILESC/C=C/CNC(=O)CCC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-8-11-10(12)7-6-9(2)3/h4-5,9H,6-8H2,1-3H3,(H,11,12)/b5-4+
InChIKeyCRVWTBWYQZGVOK-SNAWJCMRSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds5

About N-[(E)-but-2-enyl]-4-methylpentanamide

N-[(E)-but-2-enyl]-4-methylpentanamide (PubChem CID 130295959) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-4-methylpentanamide
PubChem CID130295959
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(E)-but-2-enyl]-4-methylpentanamide
SMILESC/C=C/CNC(=O)CCC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-8-11-10(12)7-6-9(2)3/h4-5,9H,6-8H2,1-3H3,(H,11,12)/b5-4+
InChIKeyCRVWTBWYQZGVOK-SNAWJCMRSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-4-methylpentanamide?
The IUPAC name of N-[(E)-but-2-enyl]-4-methylpentanamide (CID 130295959) is N-[(E)-but-2-enyl]-4-methylpentanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-4-methylpentanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-4-methylpentanamide is C/C=C/CNC(=O)CCC(C)C.
What is the InChIKey of N-[(E)-but-2-enyl]-4-methylpentanamide?
The InChIKey is CRVWTBWYQZGVOK-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-8-11-10(12)7-6-9(2)3/h4-5,9H,6-8H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-4-methylpentanamide?
N-[(E)-but-2-enyl]-4-methylpentanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-4-methylpentanamide is sourced from PubChem (CID 130295959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).