3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide

C10H20N2O2 — CID 62371563

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-11(2)10(14)4-6-12-5-3-9(7-12)8-13/h9,13H,3-8H2,1-2H3
InChIKeyKYMYRUQBAFVDNF-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.22
Rot. Bonds4

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide

3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 62371563) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
PubChem CID62371563
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-11(2)10(14)4-6-12-5-3-9(7-12)8-13/h9,13H,3-8H2,1-2H3
InChIKeyKYMYRUQBAFVDNF-UHFFFAOYSA-N
XLogP-0.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 112625577
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
CID 112629319
tert-butyl 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 115643028
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976767
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide (CID 62371563) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is KYMYRUQBAFVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)10(14)4-6-12-5-3-9(7-12)8-13/h9,13H,3-8H2,1-2H3.
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 200.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 62371563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).