N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide

C9H15NO2 — CID 146303927

IUPACN-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESCCC(=O)NC12CC(CO)(C1)C2
InChIInChI=1S/C9H15NO2/c1-2-7(12)10-9-3-8(4-9,5-9)6-11/h11H,2-6H2,1H3,(H,10,12)
InChIKeyAQGUZFRXSCEQEV-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.43
Rot. Bonds3

About N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide

N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide (PubChem CID 146303927) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
PubChem CID146303927
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESCCC(=O)NC12CC(CO)(C1)C2
InChIInChI=1S/C9H15NO2/c1-2-7(12)10-9-3-8(4-9,5-9)6-11/h11H,2-6H2,1H3,(H,10,12)
InChIKeyAQGUZFRXSCEQEV-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
methyl 4-(propanoylamino)bicyclo[2.1.1]hexane-1-carboxylate
CID 163379804
N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)cyclopropanecarboxamide
CID 130444150
[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
CID 67549106
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 139406892
N-(1-methylcyclobutyl)propanamide
CID 115766065
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
N-(1-phenylcyclopropyl)propanamide
CID 110441332
ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 153349343
N-(5-chloro-1,3-thiazolidin-5-yl)propanamide
CID 23189886
N-(1-cyanocyclopentyl)propanamide
CID 55029198

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide?
The IUPAC name of N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide (CID 146303927) is N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide is CCC(=O)NC12CC(CO)(C1)C2.
What is the InChIKey of N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide?
The InChIKey is AQGUZFRXSCEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-7(12)10-9-3-8(4-9,5-9)6-11/h11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide?
N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide has a molecular weight of 169.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide is sourced from PubChem (CID 146303927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).