N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide

C9H17NO3 — CID 103849400

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)10-5-9(12)3-4-13-6-9/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyIENABNUSIHCKOG-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 103849400) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID103849400
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)10-5-9(12)3-4-13-6-9/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyIENABNUSIHCKOG-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 103849400) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is IENABNUSIHCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)8(11)10-5-9(12)3-4-13-6-9/h7,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 103849400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).