[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone

C12H21NO2 — CID 70331749

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCCC2CO)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)12(5-6-12)11(15)13-7-3-4-10(13)8-14/h9-10,14H,3-8H2,1-2H3
InChIKeyJXMXXYDKGRGMNE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.41
Rot. Bonds3

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone (PubChem CID 70331749) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
PubChem CID70331749
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCCC2CO)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)12(5-6-12)11(15)13-7-3-4-10(13)8-14/h9-10,14H,3-8H2,1-2H3
InChIKeyJXMXXYDKGRGMNE-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone (CID 70331749) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone is CC(C)C1(C(=O)N2CCCC2CO)CC1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
The InChIKey is JXMXXYDKGRGMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)12(5-6-12)11(15)13-7-3-4-10(13)8-14/h9-10,14H,3-8H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 70331749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).