2-methyl-N-(oxolan-2-ylmethyl)propanamide

C9H17NO2 — CID 532133

IUPAC2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyGLVNZQDYDQXKQX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylmethyl)propanamide

2-methyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 532133) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID532133
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyGLVNZQDYDQXKQX-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)propanamide (CID 532133) is 2-methyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)propanamide is CC(C)C(=O)NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GLVNZQDYDQXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)propanamide?
2-methyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 532133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).