3-methyl-2-methylidenepentanamide

C7H13NO — CID 22556176

IUPAC3-methyl-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(C)CC
InChIInChI=1S/C7H13NO/c1-4-5(2)6(3)7(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyUZVNHKWPFACRJJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds3

About 3-methyl-2-methylidenepentanamide

3-methyl-2-methylidenepentanamide (PubChem CID 22556176) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-2-methylidenepentanamide.

Molecular Properties

Compound Name3-methyl-2-methylidenepentanamide
PubChem CID22556176
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methyl-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(C)CC
InChIInChI=1S/C7H13NO/c1-4-5(2)6(3)7(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyUZVNHKWPFACRJJ-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidenepentanamide?
The IUPAC name of 3-methyl-2-methylidenepentanamide (CID 22556176) is 3-methyl-2-methylidenepentanamide.
What is the SMILES notation for 3-methyl-2-methylidenepentanamide?
The canonical SMILES for 3-methyl-2-methylidenepentanamide is C=C(C(N)=O)C(C)CC.
What is the InChIKey of 3-methyl-2-methylidenepentanamide?
The InChIKey is UZVNHKWPFACRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5(2)6(3)7(8)9/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 3-methyl-2-methylidenepentanamide?
3-methyl-2-methylidenepentanamide has a molecular weight of 127.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidenepentanamide is sourced from PubChem (CID 22556176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).