(3R)-3-methoxypyrrolidine;hydrate

C5H13NO2 — CID 164870177

IUPAC(3R)-3-methoxypyrrolidine;hydrate
SMILESCO[C@@H]1CCNC1.O
InChIInChI=1S/C5H11NO.H2O/c1-7-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H2/t5-;/m1./s1
InChIKeyHCMRFLKTTLNORE-NUBCRITNSA-N
MW119.16 g/mol
LogP-0.83
Rot. Bonds1

About (3R)-3-methoxypyrrolidine;hydrate

(3R)-3-methoxypyrrolidine;hydrate (PubChem CID 164870177) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (3R)-3-methoxypyrrolidine;hydrate.

Molecular Properties

Compound Name(3R)-3-methoxypyrrolidine;hydrate
PubChem CID164870177
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(3R)-3-methoxypyrrolidine;hydrate
SMILESCO[C@@H]1CCNC1.O
InChIInChI=1S/C5H11NO.H2O/c1-7-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H2/t5-;/m1./s1
InChIKeyHCMRFLKTTLNORE-NUBCRITNSA-N
XLogP-0.83
TPSA52.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxypyrrolidine;hydrate?
The IUPAC name of (3R)-3-methoxypyrrolidine;hydrate (CID 164870177) is (3R)-3-methoxypyrrolidine;hydrate.
What is the SMILES notation for (3R)-3-methoxypyrrolidine;hydrate?
The canonical SMILES for (3R)-3-methoxypyrrolidine;hydrate is CO[C@@H]1CCNC1.O.
What is the InChIKey of (3R)-3-methoxypyrrolidine;hydrate?
The InChIKey is HCMRFLKTTLNORE-NUBCRITNSA-N. The full InChI is InChI=1S/C5H11NO.H2O/c1-7-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H2/t5-;/m1./s1.
What are the key properties of (3R)-3-methoxypyrrolidine;hydrate?
(3R)-3-methoxypyrrolidine;hydrate has a molecular weight of 119.16 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxypyrrolidine;hydrate is sourced from PubChem (CID 164870177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).