3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol

C12H18N2O — CID 58408475

IUPAC3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol
SMILESCc1ncc(C2(O)CCNC2)c(C)c1C
InChIInChI=1S/C12H18N2O/c1-8-9(2)11(6-14-10(8)3)12(15)4-5-13-7-12/h6,13,15H,4-5,7H2,1-3H3
InChIKeyLWTDZIYLSNCUNB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.19
Rot. Bonds1

About 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol

3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol (PubChem CID 58408475) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol
PubChem CID58408475
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol
SMILESCc1ncc(C2(O)CCNC2)c(C)c1C
InChIInChI=1S/C12H18N2O/c1-8-9(2)11(6-14-10(8)3)12(15)4-5-13-7-12/h6,13,15H,4-5,7H2,1-3H3
InChIKeyLWTDZIYLSNCUNB-UHFFFAOYSA-N
XLogP1.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol (CID 58408475) is 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol is Cc1ncc(C2(O)CCNC2)c(C)c1C.
What is the InChIKey of 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol?
The InChIKey is LWTDZIYLSNCUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-9(2)11(6-14-10(8)3)12(15)4-5-13-7-12/h6,13,15H,4-5,7H2,1-3H3.
What are the key properties of 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol?
3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6-trimethyl-3-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 58408475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).