2,3-dimethylidene-N'-(2-methylpropyl)butanediamide

C10H16N2O2 — CID 22074337

IUPAC2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
SMILESC=C(C(=C)C(=O)NCC(C)C)C(N)=O
InChIInChI=1S/C10H16N2O2/c1-6(2)5-12-10(14)8(4)7(3)9(11)13/h6H,3-5H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyBGFTUTZRWZQQFK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.36
Rot. Bonds5

About 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide

2,3-dimethylidene-N'-(2-methylpropyl)butanediamide (PubChem CID 22074337) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
PubChem CID22074337
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,3-dimethylidene-N'-(2-methylpropyl)butanediamide
SMILESC=C(C(=C)C(=O)NCC(C)C)C(N)=O
InChIInChI=1S/C10H16N2O2/c1-6(2)5-12-10(14)8(4)7(3)9(11)13/h6H,3-5H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyBGFTUTZRWZQQFK-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 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
The IUPAC name of 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide (CID 22074337) is 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide.
What is the SMILES notation for 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
The canonical SMILES for 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide is C=C(C(=C)C(=O)NCC(C)C)C(N)=O.
What is the InChIKey of 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
The InChIKey is BGFTUTZRWZQQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)5-12-10(14)8(4)7(3)9(11)13/h6H,3-5H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide?
2,3-dimethylidene-N'-(2-methylpropyl)butanediamide 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 2,3-dimethylidene-N'-(2-methylpropyl)butanediamide is sourced from PubChem (CID 22074337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).