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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Related Compounds

N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146303927
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
CID 174223727
N-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)butanamide
CID 178163746
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
CID 138039578
ethyl 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 138039631
[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
CID 138039579
methyl 4-(propanoylamino)bicyclo[2.1.1]hexane-1-carboxylate
CID 163379804
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.1]heptan-1-yl]methyl acetate
CID 170907920
(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)carbamoylazanium
CID 163902878
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
N-(1-methylcyclobutyl)propanamide
CID 115766065
(1S,5R)-7,7-diethyl-5-(hydroxymethyl)-6-oxabicyclo[3.2.1]octane-1-carboxylic acid
CID 102005142

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).