N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C13H21N3O2 — CID 62015517

IUPACN-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC2CO)CCCC1
InChIInChI=1S/C13H21N3O2/c14-10-13(5-1-2-6-13)15-12(18)8-16-7-3-4-11(16)9-17/h11,17H,1-9H2,(H,15,18)
InChIKeyDMGURENXCNOXPA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 62015517) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID62015517
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC2CO)CCCC1
InChIInChI=1S/C13H21N3O2/c14-10-13(5-1-2-6-13)15-12(18)8-16-7-3-4-11(16)9-17/h11,17H,1-9H2,(H,15,18)
InChIKeyDMGURENXCNOXPA-UHFFFAOYSA-N
XLogP0.40
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 62015517) is N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCCC2CO)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is DMGURENXCNOXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-13(5-1-2-6-13)15-12(18)8-16-7-3-4-11(16)9-17/h11,17H,1-9H2,(H,15,18).
What are the key properties of N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62015517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).