2-methyl-N-(oxolan-3-ylidene)propanamide

C8H13NO2 — CID 171523150

IUPAC2-methyl-N-(oxolan-3-ylidene)propanamide
SMILESCC(C)C(=O)/N=C1\CCOC1
InChIInChI=1S/C8H13NO2/c1-6(2)8(10)9-7-3-4-11-5-7/h6H,3-5H2,1-2H3/b9-7+
InChIKeyNMWGOOVBQYLJIA-VQHVLOKHSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds1

About 2-methyl-N-(oxolan-3-ylidene)propanamide

2-methyl-N-(oxolan-3-ylidene)propanamide (PubChem CID 171523150) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-ylidene)propanamide
PubChem CID171523150
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methyl-N-(oxolan-3-ylidene)propanamide
SMILESCC(C)C(=O)/N=C1\CCOC1
InChIInChI=1S/C8H13NO2/c1-6(2)8(10)9-7-3-4-11-5-7/h6H,3-5H2,1-2H3/b9-7+
InChIKeyNMWGOOVBQYLJIA-VQHVLOKHSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-N-(oxolan-3-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(oxolan-3-ylidene)propanamide (CID 171523150) is 2-methyl-N-(oxolan-3-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(oxolan-3-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(oxolan-3-ylidene)propanamide is CC(C)C(=O)/N=C1\CCOC1.
What is the InChIKey of 2-methyl-N-(oxolan-3-ylidene)propanamide?
The InChIKey is NMWGOOVBQYLJIA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)8(10)9-7-3-4-11-5-7/h6H,3-5H2,1-2H3/b9-7+.
What are the key properties of 2-methyl-N-(oxolan-3-ylidene)propanamide?
2-methyl-N-(oxolan-3-ylidene)propanamide has a molecular weight of 155.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-3-ylidene)propanamide is sourced from PubChem (CID 171523150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).