N-prop-2-enylpent-4-enamide

C8H13NO — CID 13128362

IUPACN-prop-2-enylpent-4-enamide
SMILESC=CCCC(=O)NCC=C
InChIInChI=1S/C8H13NO/c1-3-5-6-8(10)9-7-4-2/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeySNGFQQGWBKVYJK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds5

About N-prop-2-enylpent-4-enamide

N-prop-2-enylpent-4-enamide (PubChem CID 13128362) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound NameN-prop-2-enylpent-4-enamide
PubChem CID13128362
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-prop-2-enylpent-4-enamide
SMILESC=CCCC(=O)NCC=C
InChIInChI=1S/C8H13NO/c1-3-5-6-8(10)9-7-4-2/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeySNGFQQGWBKVYJK-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
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-enylpent-4-enamide?
The IUPAC name of N-prop-2-enylpent-4-enamide (CID 13128362) is N-prop-2-enylpent-4-enamide.
What is the SMILES notation for N-prop-2-enylpent-4-enamide?
The canonical SMILES for N-prop-2-enylpent-4-enamide is C=CCCC(=O)NCC=C.
What is the InChIKey of N-prop-2-enylpent-4-enamide?
The InChIKey is SNGFQQGWBKVYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-6-8(10)9-7-4-2/h3-4H,1-2,5-7H2,(H,9,10).
What are the key properties of N-prop-2-enylpent-4-enamide?
N-prop-2-enylpent-4-enamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 13128362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).