1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one

C11H22N2O2 — CID 61409975

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(15)13-7-3-4-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyIMSMDUUAGSSSSW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds5

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 61409975) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID61409975
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(15)13-7-3-4-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyIMSMDUUAGSSSSW-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 61409599
1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60974351
3-(tert-butylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217993
2-(butan-2-ylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107218138
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 66262468
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 70822306
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-sulfanylbutan-1-one
CID 146330782
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 107217835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 61409975) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NCCC(=O)N1CCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is IMSMDUUAGSSSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-6-5-11(15)13-7-3-4-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 61409975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).