3-methyl-N-(2-methylpropylidene)butanamide

C9H17NO — CID 21122211

IUPAC3-methyl-N-(2-methylpropylidene)butanamide
SMILESCC(C)/C=N/C(=O)CC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)5-9(11)10-6-8(3)4/h6-8H,5H2,1-4H3/b10-6+
InChIKeyKVMUPJXJQBRNKZ-UXBLZVDNSA-N
MW155.24 g/mol
LogP2.29
Rot. Bonds3

About 3-methyl-N-(2-methylpropylidene)butanamide

3-methyl-N-(2-methylpropylidene)butanamide (PubChem CID 21122211) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropylidene)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropylidene)butanamide
PubChem CID21122211
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-N-(2-methylpropylidene)butanamide
SMILESCC(C)/C=N/C(=O)CC(C)C
InChIInChI=1S/C9H17NO/c1-7(2)5-9(11)10-6-8(3)4/h6-8H,5H2,1-4H3/b10-6+
InChIKeyKVMUPJXJQBRNKZ-UXBLZVDNSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropylidene)butanamide?
The IUPAC name of 3-methyl-N-(2-methylpropylidene)butanamide (CID 21122211) is 3-methyl-N-(2-methylpropylidene)butanamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropylidene)butanamide?
The canonical SMILES for 3-methyl-N-(2-methylpropylidene)butanamide is CC(C)/C=N/C(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropylidene)butanamide?
The InChIKey is KVMUPJXJQBRNKZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-9(11)10-6-8(3)4/h6-8H,5H2,1-4H3/b10-6+.
What are the key properties of 3-methyl-N-(2-methylpropylidene)butanamide?
3-methyl-N-(2-methylpropylidene)butanamide has a molecular weight of 155.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropylidene)butanamide is sourced from PubChem (CID 21122211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).