2-methyl-3-pyrrolidin-1-ylpropan-1-ol

C8H17NO — CID 25219176

IUPAC2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCC(CO)CN1CCCC1
InChIInChI=1S/C8H17NO/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKeyDBVFKDFKCCLKPX-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds3

About 2-methyl-3-pyrrolidin-1-ylpropan-1-ol

2-methyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 25219176) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID25219176
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCC(CO)CN1CCCC1
InChIInChI=1S/C8H17NO/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKeyDBVFKDFKCCLKPX-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-3-pyrrolidin-1-ylpropan-1-ol (CID 25219176) is 2-methyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-ylpropan-1-ol is CC(CO)CN1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is DBVFKDFKCCLKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
2-methyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 25219176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).