cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C10H17NO2 — CID 102738013

IUPACcyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CC2)C1CO
InChIInChI=1S/C10H17NO2/c1-7-4-5-11(9(7)6-12)10(13)8-2-3-8/h7-9,12H,2-6H2,1H3
InChIKeyZGELMNYEMRSVPI-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.63
Rot. Bonds2

About cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102738013) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102738013
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CC2)C1CO
InChIInChI=1S/C10H17NO2/c1-7-4-5-11(9(7)6-12)10(13)8-2-3-8/h7-9,12H,2-6H2,1H3
InChIKeyZGELMNYEMRSVPI-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
CID 102786836
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 102738003
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780572
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 102737963
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780576

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102738013) is cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)C2CC2)C1CO.
What is the InChIKey of cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is ZGELMNYEMRSVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-4-5-11(9(7)6-12)10(13)8-2-3-8/h7-9,12H,2-6H2,1H3.
What are the key properties of cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 183.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102738013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).