(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol

C11H21NO2 — CID 66291270

IUPAC(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
SMILESCOC1CCCC(N2CC[C@@H](O)C2)C1
InChIInChI=1S/C11H21NO2/c1-14-11-4-2-3-9(7-11)12-6-5-10(13)8-12/h9-11,13H,2-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyKXTDPNCCDJRATK-HSOILSAZSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds2

About (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol

(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol (PubChem CID 66291270) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
PubChem CID66291270
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
SMILESCOC1CCCC(N2CC[C@@H](O)C2)C1
InChIInChI=1S/C11H21NO2/c1-14-11-4-2-3-9(7-11)12-6-5-10(13)8-12/h9-11,13H,2-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyKXTDPNCCDJRATK-HSOILSAZSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol (CID 66291270) is (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol is COC1CCCC(N2CC[C@@H](O)C2)C1.
What is the InChIKey of (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol?
The InChIKey is KXTDPNCCDJRATK-HSOILSAZSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-11-4-2-3-9(7-11)12-6-5-10(13)8-12/h9-11,13H,2-8H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol?
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol is sourced from PubChem (CID 66291270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).