3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one

C9H16N2O2 — CID 105441140

IUPAC3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one
SMILESO=C1NC2CCCC2CN1CCO
InChIInChI=1S/C9H16N2O2/c12-5-4-11-6-7-2-1-3-8(7)10-9(11)13/h7-8,12H,1-6H2,(H,10,13)
InChIKeyYQXDGGFXOQIXDZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.17
Rot. Bonds2

About 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one

3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one (PubChem CID 105441140) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one
PubChem CID105441140
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one
SMILESO=C1NC2CCCC2CN1CCO
InChIInChI=1S/C9H16N2O2/c12-5-4-11-6-7-2-1-3-8(7)10-9(11)13/h7-8,12H,1-6H2,(H,10,13)
InChIKeyYQXDGGFXOQIXDZ-UHFFFAOYSA-N
XLogP0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-4-(oxan-4-yl)imidazolidin-2-one
CID 116979397
1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one
CID 116978879
cyclobutanol;1-(2-hydroxyethyl)imidazolidin-2-one
CID 174844984
3-(2-hydroxyethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 130685352
4-cyclohexyl-1-ethylimidazolidin-2-one
CID 89080819
5-cyclohexyl-2-(2-hydroxyethyl)pyrazolidin-3-one
CID 105466158
5-amino-1-(2-hydroxyethyl)piperidin-2-one;hydrochloride
CID 69008245
1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981965
3-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one
CID 166508322
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116978731
4-(5-bromothiophen-2-yl)-1-(2-hydroxyethyl)imidazolidin-2-one
CID 116979352
(6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 90023713

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one (CID 105441140) is 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one is O=C1NC2CCCC2CN1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is YQXDGGFXOQIXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-5-4-11-6-7-2-1-3-8(7)10-9(11)13/h7-8,12H,1-6H2,(H,10,13).
What are the key properties of 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one?
3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 105441140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).