1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol

C9H17NO3 — CID 130676350

IUPAC1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(C2COC[C@H]2O)CC1O
InChIInChI=1S/C9H17NO3/c1-6-2-10(3-8(6)11)7-4-13-5-9(7)12/h6-9,11-12H,2-5H2,1H3/t6?,7?,8?,9-/m1/s1
InChIKeyJDNVQUAGZOFZRG-RLKGBJSKSA-N
MW187.24 g/mol
LogP-0.94
Rot. Bonds1

About 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol

1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol (PubChem CID 130676350) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol
PubChem CID130676350
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(C2COC[C@H]2O)CC1O
InChIInChI=1S/C9H17NO3/c1-6-2-10(3-8(6)11)7-4-13-5-9(7)12/h6-9,11-12H,2-5H2,1H3/t6?,7?,8?,9-/m1/s1
InChIKeyJDNVQUAGZOFZRG-RLKGBJSKSA-N
XLogP-0.94
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-(3-Fluoropyrrolidin-1-yl)oxolan-3-ol
CID 165351672
(3S)-4-{[(3R,4S)-4-fluorooxolan-3-yl](methyl)amino}oxolan-3-ol
CID 168021404
[2,3-Dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
CID 20583766
5-Oxazolidinemethanol, 2,3-dimethyl-2-(1-methylethyl)-
CID 20583767
4-[Di(propan-2-yl)amino]oxolan-3-ol
CID 22975502
(3S,4R)-4-(diethylamino)oxolan-3-ol
CID 55274152
(3S,4R)-4-(pyrrolidin-1-yl)oxolan-3-ol
CID 55274153
(3R,4S)-1-tert-butyl-4-propan-2-yloxypyrrolidin-3-ol
CID 58959504
1-(2-Butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 59944113
4-(Pyrrolidin-1-yl)oxolan-3-ol
CID 76221612
(3S,4R)-4-methoxy-1-(2-methylpropyl)pyrrolidin-3-ol
CID 89708622
4-(3-Methylbutoxy)-1-propan-2-ylpyrrolidin-3-ol
CID 121476013

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol (CID 130676350) is 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol is CC1CN(C2COC[C@H]2O)CC1O.
What is the InChIKey of 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol?
The InChIKey is JDNVQUAGZOFZRG-RLKGBJSKSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-2-10(3-8(6)11)7-4-13-5-9(7)12/h6-9,11-12H,2-5H2,1H3/t6?,7?,8?,9-/m1/s1.
What are the key properties of 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol?
1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol has a molecular weight of 187.24 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130676350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).