N-[(E)-pent-2-enyl]acetamide

C7H13NO — CID 22400801

IUPACN-[(E)-pent-2-enyl]acetamide
SMILESCC/C=C/CNC(C)=O
InChIInChI=1S/C7H13NO/c1-3-4-5-6-8-7(2)9/h4-5H,3,6H2,1-2H3,(H,8,9)/b5-4+
InChIKeyUFUWYKFSJRSDGS-SNAWJCMRSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds3

About N-[(E)-pent-2-enyl]acetamide

N-[(E)-pent-2-enyl]acetamide (PubChem CID 22400801) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(E)-pent-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-pent-2-enyl]acetamide
PubChem CID22400801
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-[(E)-pent-2-enyl]acetamide
SMILESCC/C=C/CNC(C)=O
InChIInChI=1S/C7H13NO/c1-3-4-5-6-8-7(2)9/h4-5H,3,6H2,1-2H3,(H,8,9)/b5-4+
InChIKeyUFUWYKFSJRSDGS-SNAWJCMRSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
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)-pent-2-enyl]acetamide?
The IUPAC name of N-[(E)-pent-2-enyl]acetamide (CID 22400801) is N-[(E)-pent-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-pent-2-enyl]acetamide?
The canonical SMILES for N-[(E)-pent-2-enyl]acetamide is CC/C=C/CNC(C)=O.
What is the InChIKey of N-[(E)-pent-2-enyl]acetamide?
The InChIKey is UFUWYKFSJRSDGS-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-5-6-8-7(2)9/h4-5H,3,6H2,1-2H3,(H,8,9)/b5-4+.
What are the key properties of N-[(E)-pent-2-enyl]acetamide?
N-[(E)-pent-2-enyl]acetamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-2-enyl]acetamide is sourced from PubChem (CID 22400801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).