N-prop-2-enylpentanamide

C8H15NO — CID 3515214

IUPACN-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCC
InChIInChI=1S/C8H15NO/c1-3-5-6-8(10)9-7-4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyPSXRXGWOOFHJPC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds5

About N-prop-2-enylpentanamide

N-prop-2-enylpentanamide (PubChem CID 3515214) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-prop-2-enylpentanamide.

Molecular Properties

Compound NameN-prop-2-enylpentanamide
PubChem CID3515214
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCC
InChIInChI=1S/C8H15NO/c1-3-5-6-8(10)9-7-4-2/h4H,2-3,5-7H2,1H3,(H,9,10)
InChIKeyPSXRXGWOOFHJPC-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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-prop-2-enylpentanamide?
The IUPAC name of N-prop-2-enylpentanamide (CID 3515214) is N-prop-2-enylpentanamide.
What is the SMILES notation for N-prop-2-enylpentanamide?
The canonical SMILES for N-prop-2-enylpentanamide is C=CCNC(=O)CCCC.
What is the InChIKey of N-prop-2-enylpentanamide?
The InChIKey is PSXRXGWOOFHJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-6-8(10)9-7-4-2/h4H,2-3,5-7H2,1H3,(H,9,10).
What are the key properties of N-prop-2-enylpentanamide?
N-prop-2-enylpentanamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpentanamide is sourced from PubChem (CID 3515214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).