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

C8H17NO — CID 54474156

IUPAC2-methyl-1-pyrrolidin-2-ylpropan-2-ol
SMILESCC(C)(O)CC1CCCN1
InChIInChI=1S/C8H17NO/c1-8(2,10)6-7-4-3-5-9-7/h7,9-10H,3-6H2,1-2H3
InChIKeyITWCBGKUPACKKB-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds2

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

2-methyl-1-pyrrolidin-2-ylpropan-2-ol (PubChem CID 54474156) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-2-ylpropan-2-ol
PubChem CID54474156
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-methyl-1-pyrrolidin-2-ylpropan-2-ol
SMILESCC(C)(O)CC1CCCN1
InChIInChI=1S/C8H17NO/c1-8(2,10)6-7-4-3-5-9-7/h7,9-10H,3-6H2,1-2H3
InChIKeyITWCBGKUPACKKB-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-2-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-pyrrolidin-2-ylpropan-2-ol (CID 54474156) is 2-methyl-1-pyrrolidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-pyrrolidin-2-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-pyrrolidin-2-ylpropan-2-ol is CC(C)(O)CC1CCCN1.
What is the InChIKey of 2-methyl-1-pyrrolidin-2-ylpropan-2-ol?
The InChIKey is ITWCBGKUPACKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,10)6-7-4-3-5-9-7/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-pyrrolidin-2-ylpropan-2-ol?
2-methyl-1-pyrrolidin-2-ylpropan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-2-ylpropan-2-ol is sourced from PubChem (CID 54474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).