N-ethylidene-2-methylpropanamide

C6H11NO — CID 142333118

IUPACN-ethylidene-2-methylpropanamide
SMILESC/C=N/C(=O)C(C)C
InChIInChI=1S/C6H11NO/c1-4-7-6(8)5(2)3/h4-5H,1-3H3/b7-4+
InChIKeyOPGSKKZEHVNODJ-QPJJXVBHSA-N
MW113.16 g/mol
LogP1.26
Rot. Bonds1

About N-ethylidene-2-methylpropanamide

N-ethylidene-2-methylpropanamide (PubChem CID 142333118) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-ethylidene-2-methylpropanamide.

Molecular Properties

Compound NameN-ethylidene-2-methylpropanamide
PubChem CID142333118
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-ethylidene-2-methylpropanamide
SMILESC/C=N/C(=O)C(C)C
InChIInChI=1S/C6H11NO/c1-4-7-6(8)5(2)3/h4-5H,1-3H3/b7-4+
InChIKeyOPGSKKZEHVNODJ-QPJJXVBHSA-N
XLogP1.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.26
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 N-ethylidene-2-methylpropanamide?
The IUPAC name of N-ethylidene-2-methylpropanamide (CID 142333118) is N-ethylidene-2-methylpropanamide.
What is the SMILES notation for N-ethylidene-2-methylpropanamide?
The canonical SMILES for N-ethylidene-2-methylpropanamide is C/C=N/C(=O)C(C)C.
What is the InChIKey of N-ethylidene-2-methylpropanamide?
The InChIKey is OPGSKKZEHVNODJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-7-6(8)5(2)3/h4-5H,1-3H3/b7-4+.
What are the key properties of N-ethylidene-2-methylpropanamide?
N-ethylidene-2-methylpropanamide has a molecular weight of 113.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-2-methylpropanamide is sourced from PubChem (CID 142333118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).