4-methyl-3-pyrrolidin-2-yloxan-4-ol

C10H19NO2 — CID 119031215

IUPAC4-methyl-3-pyrrolidin-2-yloxan-4-ol
SMILESCC1(O)CCOCC1C1CCCN1
InChIInChI=1S/C10H19NO2/c1-10(12)4-6-13-7-8(10)9-3-2-5-11-9/h8-9,11-12H,2-7H2,1H3
InChIKeyDWZNCLHNHINSAL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds1

About 4-methyl-3-pyrrolidin-2-yloxan-4-ol

4-methyl-3-pyrrolidin-2-yloxan-4-ol (PubChem CID 119031215) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-2-yloxan-4-ol.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-2-yloxan-4-ol
PubChem CID119031215
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-3-pyrrolidin-2-yloxan-4-ol
SMILESCC1(O)CCOCC1C1CCCN1
InChIInChI=1S/C10H19NO2/c1-10(12)4-6-13-7-8(10)9-3-2-5-11-9/h8-9,11-12H,2-7H2,1H3
InChIKeyDWZNCLHNHINSAL-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-2-yloxan-4-ol?
The IUPAC name of 4-methyl-3-pyrrolidin-2-yloxan-4-ol (CID 119031215) is 4-methyl-3-pyrrolidin-2-yloxan-4-ol.
What is the SMILES notation for 4-methyl-3-pyrrolidin-2-yloxan-4-ol?
The canonical SMILES for 4-methyl-3-pyrrolidin-2-yloxan-4-ol is CC1(O)CCOCC1C1CCCN1.
What is the InChIKey of 4-methyl-3-pyrrolidin-2-yloxan-4-ol?
The InChIKey is DWZNCLHNHINSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(12)4-6-13-7-8(10)9-3-2-5-11-9/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 4-methyl-3-pyrrolidin-2-yloxan-4-ol?
4-methyl-3-pyrrolidin-2-yloxan-4-ol has a molecular weight of 185.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-2-yloxan-4-ol is sourced from PubChem (CID 119031215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).