3-methyl-N-[(E)-pent-2-enyl]pentanamide

C11H21NO — CID 20667372

IUPAC3-methyl-N-[(E)-pent-2-enyl]pentanamide
SMILESCC/C=C/CNC(=O)CC(C)CC
InChIInChI=1S/C11H21NO/c1-4-6-7-8-12-11(13)9-10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,12,13)/b7-6+
InChIKeyZENUITURGTZLPW-VOTSOKGWSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds6

About 3-methyl-N-[(E)-pent-2-enyl]pentanamide

3-methyl-N-[(E)-pent-2-enyl]pentanamide (PubChem CID 20667372) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-N-[(E)-pent-2-enyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-pent-2-enyl]pentanamide
PubChem CID20667372
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-N-[(E)-pent-2-enyl]pentanamide
SMILESCC/C=C/CNC(=O)CC(C)CC
InChIInChI=1S/C11H21NO/c1-4-6-7-8-12-11(13)9-10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,12,13)/b7-6+
InChIKeyZENUITURGTZLPW-VOTSOKGWSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
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 3-methyl-N-[(E)-pent-2-enyl]pentanamide?
The IUPAC name of 3-methyl-N-[(E)-pent-2-enyl]pentanamide (CID 20667372) is 3-methyl-N-[(E)-pent-2-enyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[(E)-pent-2-enyl]pentanamide?
The canonical SMILES for 3-methyl-N-[(E)-pent-2-enyl]pentanamide is CC/C=C/CNC(=O)CC(C)CC.
What is the InChIKey of 3-methyl-N-[(E)-pent-2-enyl]pentanamide?
The InChIKey is ZENUITURGTZLPW-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-7-8-12-11(13)9-10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,12,13)/b7-6+.
What are the key properties of 3-methyl-N-[(E)-pent-2-enyl]pentanamide?
3-methyl-N-[(E)-pent-2-enyl]pentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-pent-2-enyl]pentanamide is sourced from PubChem (CID 20667372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).