N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C8H15NO3 — CID 103849520

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H15NO3/c1-2-7(10)9-5-8(11)3-4-12-6-8/h11H,2-6H2,1H3,(H,9,10)
InChIKeyBAQDLCMYXDCJBX-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.34
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103849520) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103849520
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H15NO3/c1-2-7(10)9-5-8(11)3-4-12-6-8/h11H,2-6H2,1H3,(H,9,10)
InChIKeyBAQDLCMYXDCJBX-UHFFFAOYSA-N
XLogP-0.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.34
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]propanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103849520) is N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is CCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is BAQDLCMYXDCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-7(10)9-5-8(11)3-4-12-6-8/h11H,2-6H2,1H3,(H,9,10).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 173.21 g/mol, XLogP of -0.34, 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]propanamide is sourced from PubChem (CID 103849520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).