2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol

C11H23NO — CID 58530428

IUPAC2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol
SMILESCC(C)(C)CC1CCCN1CCO
InChIInChI=1S/C11H23NO/c1-11(2,3)9-10-5-4-6-12(10)7-8-13/h10,13H,4-9H2,1-3H3
InChIKeyJVXUJKDPKJIPMN-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol

2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol (PubChem CID 58530428) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol
PubChem CID58530428
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol
SMILESCC(C)(C)CC1CCCN1CCO
InChIInChI=1S/C11H23NO/c1-11(2,3)9-10-5-4-6-12(10)7-8-13/h10,13H,4-9H2,1-3H3
InChIKeyJVXUJKDPKJIPMN-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol (CID 58530428) is 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol is CC(C)(C)CC1CCCN1CCO.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol?
The InChIKey is JVXUJKDPKJIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)9-10-5-4-6-12(10)7-8-13/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol?
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 58530428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).