N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide

C9H15NO3 — CID 167084426

IUPACN-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
SMILESCCC(=O)NC12COC(CO)(C1)C2
InChIInChI=1S/C9H15NO3/c1-2-7(12)10-8-3-9(4-8,5-11)13-6-8/h11H,2-6H2,1H3,(H,10,12)
InChIKeyDLDFULUKDGUTIK-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.19
Rot. Bonds3

About N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide

N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide (PubChem CID 167084426) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
PubChem CID167084426
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
SMILESCCC(=O)NC12COC(CO)(C1)C2
InChIInChI=1S/C9H15NO3/c1-2-7(12)10-8-3-9(4-8,5-11)13-6-8/h11H,2-6H2,1H3,(H,10,12)
InChIKeyDLDFULUKDGUTIK-UHFFFAOYSA-N
XLogP-0.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide?
The IUPAC name of N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide (CID 167084426) is N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide is CCC(=O)NC12COC(CO)(C1)C2.
What is the InChIKey of N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide?
The InChIKey is DLDFULUKDGUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-7(12)10-8-3-9(4-8,5-11)13-6-8/h11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide?
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide has a molecular weight of 185.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide is sourced from PubChem (CID 167084426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).