(3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol

C9H17NO2 — CID 127012008

IUPAC(3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol
SMILESCC1OCCC1N1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO2/c1-7-9(3-5-12-7)10-4-2-8(11)6-10/h7-9,11H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyPTXNUJNQHLMBTK-QJAFJHJLSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds1

About (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol

(3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol (PubChem CID 127012008) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol
PubChem CID127012008
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol
SMILESCC1OCCC1N1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO2/c1-7-9(3-5-12-7)10-4-2-8(11)6-10/h7-9,11H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyPTXNUJNQHLMBTK-QJAFJHJLSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol (CID 127012008) is (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol is CC1OCCC1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol?
The InChIKey is PTXNUJNQHLMBTK-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-9(3-5-12-7)10-4-2-8(11)6-10/h7-9,11H,2-6H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol?
(3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methyloxolan-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 127012008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).