4-methylidene-N'-(2-methylpropyl)pent-2-enediamide

C10H16N2O2 — CID 87454034

IUPAC4-methylidene-N'-(2-methylpropyl)pent-2-enediamide
SMILESC=C(C=CC(N)=O)C(=O)NCC(C)C
InChIInChI=1S/C10H16N2O2/c1-7(2)6-12-10(14)8(3)4-5-9(11)13/h4-5,7H,3,6H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyLQGMZBCHRVFZJM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.36
Rot. Bonds5

About 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide

4-methylidene-N'-(2-methylpropyl)pent-2-enediamide (PubChem CID 87454034) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide.

Molecular Properties

Compound Name4-methylidene-N'-(2-methylpropyl)pent-2-enediamide
PubChem CID87454034
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-methylidene-N'-(2-methylpropyl)pent-2-enediamide
SMILESC=C(C=CC(N)=O)C(=O)NCC(C)C
InChIInChI=1S/C10H16N2O2/c1-7(2)6-12-10(14)8(3)4-5-9(11)13/h4-5,7H,3,6H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyLQGMZBCHRVFZJM-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide?
The IUPAC name of 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide (CID 87454034) is 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide.
What is the SMILES notation for 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide?
The canonical SMILES for 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide is C=C(C=CC(N)=O)C(=O)NCC(C)C.
What is the InChIKey of 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide?
The InChIKey is LQGMZBCHRVFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)6-12-10(14)8(3)4-5-9(11)13/h4-5,7H,3,6H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide?
4-methylidene-N'-(2-methylpropyl)pent-2-enediamide has a molecular weight of 196.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N'-(2-methylpropyl)pent-2-enediamide is sourced from PubChem (CID 87454034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).