(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol

C9H14N2O — CID 103881965

IUPAC(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2cc[nH]c2)C1
InChIInChI=1S/C9H14N2O/c12-9-2-4-11(7-9)6-8-1-3-10-5-8/h1,3,5,9-10,12H,2,4,6-7H2/t9-/m1/s1
InChIKeyGLQFBNHTWFBGMX-SECBINFHSA-N
MW166.22 g/mol
LogP0.58
Rot. Bonds2

About (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol

(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 103881965) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol
PubChem CID103881965
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2cc[nH]c2)C1
InChIInChI=1S/C9H14N2O/c12-9-2-4-11(7-9)6-8-1-3-10-5-8/h1,3,5,9-10,12H,2,4,6-7H2/t9-/m1/s1
InChIKeyGLQFBNHTWFBGMX-SECBINFHSA-N
XLogP0.58
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol (CID 103881965) is (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CCN(Cc2cc[nH]c2)C1.
What is the InChIKey of (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GLQFBNHTWFBGMX-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9-2-4-11(7-9)6-8-1-3-10-5-8/h1,3,5,9-10,12H,2,4,6-7H2/t9-/m1/s1.
What are the key properties of (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol?
(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 166.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 103881965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).