2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide

C9H18N2O3 — CID 142151886

IUPAC2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1CNC(CO)C1
InChIInChI=1S/C9H18N2O3/c1-11(2)9(13)6-14-8-3-7(5-12)10-4-8/h7-8,10,12H,3-6H2,1-2H3
InChIKeyQALMMXWNPAVHDD-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.19
Rot. Bonds4

About 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide

2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide (PubChem CID 142151886) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide
PubChem CID142151886
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1CNC(CO)C1
InChIInChI=1S/C9H18N2O3/c1-11(2)9(13)6-14-8-3-7(5-12)10-4-8/h7-8,10,12H,3-6H2,1-2H3
InChIKeyQALMMXWNPAVHDD-UHFFFAOYSA-N
XLogP-1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide (CID 142151886) is 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)COC1CNC(CO)C1.
What is the InChIKey of 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide?
The InChIKey is QALMMXWNPAVHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-11(2)9(13)6-14-8-3-7(5-12)10-4-8/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide?
2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide has a molecular weight of 202.25 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)pyrrolidin-3-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 142151886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).