N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide

C10H16N2O2 — CID 586937

IUPACN-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)C(=O)NC(=O)NC
InChIInChI=1S/C10H16N2O2/c1-4-6-8(7-5-2)9(13)12-10(14)11-3/h4-5,8H,1-2,6-7H2,3H3,(H2,11,12,13,14)
InChIKeyVIEQBPVADVHNBS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.21
Rot. Bonds5

About N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide

N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide (PubChem CID 586937) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide
PubChem CID586937
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)C(=O)NC(=O)NC
InChIInChI=1S/C10H16N2O2/c1-4-6-8(7-5-2)9(13)12-10(14)11-3/h4-5,8H,1-2,6-7H2,3H3,(H2,11,12,13,14)
InChIKeyVIEQBPVADVHNBS-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide?
The IUPAC name of N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide (CID 586937) is N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide?
The canonical SMILES for N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide is C=CCC(CC=C)C(=O)NC(=O)NC.
What is the InChIKey of N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide?
The InChIKey is VIEQBPVADVHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-8(7-5-2)9(13)12-10(14)11-3/h4-5,8H,1-2,6-7H2,3H3,(H2,11,12,13,14).
What are the key properties of N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide?
N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide has a molecular weight of 196.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-prop-2-enylpent-4-enamide is sourced from PubChem (CID 586937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).