[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone

C12H21NO2 — CID 70331859

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone
SMILESCCCC1(C(=O)N2CCCC2CO)CC1
InChIInChI=1S/C12H21NO2/c1-2-5-12(6-7-12)11(15)13-8-3-4-10(13)9-14/h10,14H,2-9H2,1H3
InChIKeyHCLUAENWFQWPFI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds4

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

[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone (PubChem CID 70331859) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone
PubChem CID70331859
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone
SMILESCCCC1(C(=O)N2CCCC2CO)CC1
InChIInChI=1S/C12H21NO2/c1-2-5-12(6-7-12)11(15)13-8-3-4-10(13)9-14/h10,14H,2-9H2,1H3
InChIKeyHCLUAENWFQWPFI-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.55
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-propylcyclopropyl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone (CID 70331859) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone is CCCC1(C(=O)N2CCCC2CO)CC1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone?
The InChIKey is HCLUAENWFQWPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-5-12(6-7-12)11(15)13-8-3-4-10(13)9-14/h10,14H,2-9H2,1H3.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propylcyclopropyl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.55, 4 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-propylcyclopropyl)methanone is sourced from PubChem (CID 70331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).