1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone

C13H21NO3 — CID 168882604

IUPAC1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C13H21NO3/c1-9(15)11-6-7-14(8-11)13(17)10-2-4-12(16)5-3-10/h10-12,16H,2-8H2,1H3/t10?,11-,12?/m1/s1
InChIKeyPGJAQLUDFWAQFZ-MOENNCHZSA-N
MW239.31 g/mol
LogP0.98
Rot. Bonds2

About 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone

1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone (PubChem CID 168882604) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
PubChem CID168882604
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C13H21NO3/c1-9(15)11-6-7-14(8-11)13(17)10-2-4-12(16)5-3-10/h10-12,16H,2-8H2,1H3/t10?,11-,12?/m1/s1
InChIKeyPGJAQLUDFWAQFZ-MOENNCHZSA-N
XLogP0.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
CID 98265692
4-(4-hydroxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782265
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
(4-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 20754665
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone (CID 168882604) is 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone is CC(=O)[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1.
What is the InChIKey of 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone?
The InChIKey is PGJAQLUDFWAQFZ-MOENNCHZSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(15)11-6-7-14(8-11)13(17)10-2-4-12(16)5-3-10/h10-12,16H,2-8H2,1H3/t10?,11-,12?/m1/s1.
What are the key properties of 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone?
1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone has a molecular weight of 239.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 168882604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).