(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

C13H23NO2 — CID 118444512

IUPAC(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@]1(C)CCN(C(=O)C2CC(O)C2)C1
InChIInChI=1S/C13H23NO2/c1-9(2)13(3)4-5-14(8-13)12(16)10-6-11(15)7-10/h9-11,15H,4-8H2,1-3H3/t10?,11?,13-/m0/s1
InChIKeyHXVGYCYWDHUCII-XIVSLSHWSA-N
MW225.33 g/mol
LogP1.65
Rot. Bonds2

About (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone

(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 118444512) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID118444512
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@]1(C)CCN(C(=O)C2CC(O)C2)C1
InChIInChI=1S/C13H23NO2/c1-9(2)13(3)4-5-14(8-13)12(16)10-6-11(15)7-10/h9-11,15H,4-8H2,1-3H3/t10?,11?,13-/m0/s1
InChIKeyHXVGYCYWDHUCII-XIVSLSHWSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 75433781
1-[3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 86815516
N,N-diethyl-cis-3-hydroxycyclobutane carboxamide
CID 57697391
2-(1-Tert-butylcyclopropyl)-2-hydroxy-1-(3-methylpyrrolidin-1-yl)ethanone
CID 58584485
1-[3-(Hydroxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-1-one
CID 109874005
(4-Tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone
CID 118084460
2-cyclopropyl-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 118444492
(3,3-Dimethylpyrrolidin-1-yl)-(3-hydroxycyclobutyl)methanone
CID 118447919
1-(2-Hydroxy-6-azaspiro[3.4]octan-6-yl)-3,3-dimethylbutan-1-one
CID 118893899
(3-Hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 123596503
(3-Hydroxycyclobutyl)-pyrrolidin-1-ylmethanone
CID 123632883
1,3-Ditert-butyl-5-hydroxypyrrolidin-2-one
CID 129076651

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone (CID 118444512) is (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)[C@@]1(C)CCN(C(=O)C2CC(O)C2)C1.
What is the InChIKey of (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is HXVGYCYWDHUCII-XIVSLSHWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)13(3)4-5-14(8-13)12(16)10-6-11(15)7-10/h9-11,15H,4-8H2,1-3H3/t10?,11?,13-/m0/s1.
What are the key properties of (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone?
(3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 225.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118444512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).