4-formylimino-2-methyl-N-propylidenebutanamide

C9H14N2O2 — CID 87995080

IUPAC4-formylimino-2-methyl-N-propylidenebutanamide
SMILESCC/C=N/C(=O)C(C)C/C=N/C=O
InChIInChI=1S/C9H14N2O2/c1-3-5-11-9(13)8(2)4-6-10-7-12/h5-8H,3-4H2,1-2H3/b10-6+,11-5+
InChIKeyOLKXNQLFQJKKCW-NVOKHFLUSA-N
MW182.22 g/mol
LogP1.25
Rot. Bonds5

About 4-formylimino-2-methyl-N-propylidenebutanamide

4-formylimino-2-methyl-N-propylidenebutanamide (PubChem CID 87995080) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-formylimino-2-methyl-N-propylidenebutanamide.

Molecular Properties

Compound Name4-formylimino-2-methyl-N-propylidenebutanamide
PubChem CID87995080
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-formylimino-2-methyl-N-propylidenebutanamide
SMILESCC/C=N/C(=O)C(C)C/C=N/C=O
InChIInChI=1S/C9H14N2O2/c1-3-5-11-9(13)8(2)4-6-10-7-12/h5-8H,3-4H2,1-2H3/b10-6+,11-5+
InChIKeyOLKXNQLFQJKKCW-NVOKHFLUSA-N
XLogP1.25
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-formylimino-2-methyl-N-propylidenebutanamide?
The IUPAC name of 4-formylimino-2-methyl-N-propylidenebutanamide (CID 87995080) is 4-formylimino-2-methyl-N-propylidenebutanamide.
What is the SMILES notation for 4-formylimino-2-methyl-N-propylidenebutanamide?
The canonical SMILES for 4-formylimino-2-methyl-N-propylidenebutanamide is CC/C=N/C(=O)C(C)C/C=N/C=O.
What is the InChIKey of 4-formylimino-2-methyl-N-propylidenebutanamide?
The InChIKey is OLKXNQLFQJKKCW-NVOKHFLUSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-11-9(13)8(2)4-6-10-7-12/h5-8H,3-4H2,1-2H3/b10-6+,11-5+.
What are the key properties of 4-formylimino-2-methyl-N-propylidenebutanamide?
4-formylimino-2-methyl-N-propylidenebutanamide has a molecular weight of 182.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formylimino-2-methyl-N-propylidenebutanamide is sourced from PubChem (CID 87995080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).