(4-tert-butylpyrrolidin-2-yl)methanol

C9H19NO — CID 20792997

IUPAC(4-tert-butylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)C1CNC(CO)C1
InChIInChI=1S/C9H19NO/c1-9(2,3)7-4-8(6-11)10-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKeyWRSZRFPZEPXTSL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds1

About (4-tert-butylpyrrolidin-2-yl)methanol

(4-tert-butylpyrrolidin-2-yl)methanol (PubChem CID 20792997) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4-tert-butylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylpyrrolidin-2-yl)methanol
PubChem CID20792997
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4-tert-butylpyrrolidin-2-yl)methanol
SMILESCC(C)(C)C1CNC(CO)C1
InChIInChI=1S/C9H19NO/c1-9(2,3)7-4-8(6-11)10-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKeyWRSZRFPZEPXTSL-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-tert-butylpyrrolidin-2-yl)methanol (CID 20792997) is (4-tert-butylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-tert-butylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-tert-butylpyrrolidin-2-yl)methanol is CC(C)(C)C1CNC(CO)C1.
What is the InChIKey of (4-tert-butylpyrrolidin-2-yl)methanol?
The InChIKey is WRSZRFPZEPXTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)7-4-8(6-11)10-5-7/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of (4-tert-butylpyrrolidin-2-yl)methanol?
(4-tert-butylpyrrolidin-2-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 20792997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).