1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one

C10H18N2O2 — CID 168702823

IUPAC1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
SMILESNC1CCC(N2CC(O)CC2=O)CC1
InChIInChI=1S/C10H18N2O2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h7-9,13H,1-6,11H2
InChIKeyWZCYYOQXMKMZNJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.15
Rot. Bonds1

About 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one

1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702823) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702823
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
SMILESNC1CCC(N2CC(O)CC2=O)CC1
InChIInChI=1S/C10H18N2O2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h7-9,13H,1-6,11H2
InChIKeyWZCYYOQXMKMZNJ-UHFFFAOYSA-N
XLogP-0.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168701862
4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one
CID 168701747
1-(2,3-dihydro-1H-inden-2-yl)-4-hydroxypyrrolidin-2-one
CID 107849710
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1-methylpiperidin-2-one
CID 64668227
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
1-(7-bicyclo[4.1.0]heptanyl)-4-hydroxypyrrolidin-2-one
CID 130874919
4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168700059
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one (CID 168702823) is 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one is NC1CCC(N2CC(O)CC2=O)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is WZCYYOQXMKMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-7-1-3-8(4-2-7)12-6-9(13)5-10(12)14/h7-9,13H,1-6,11H2.
What are the key properties of 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one?
1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).