1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one

C11H21NO2 — CID 114875391

IUPAC1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-3-9(2)6-11(14)12-5-4-10(7-12)8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyXZEFRCVDXXBYGM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds4

About 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one (PubChem CID 114875391) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
PubChem CID114875391
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCC(CO)C1
InChIInChI=1S/C11H21NO2/c1-3-9(2)6-11(14)12-5-4-10(7-12)8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyXZEFRCVDXXBYGM-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
1-[3-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 62371123
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 112625056
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
2-[butan-2-yl-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626820
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one (CID 114875391) is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one?
The InChIKey is XZEFRCVDXXBYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9(2)6-11(14)12-5-4-10(7-12)8-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one?
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 114875391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).