(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol

C₁₀H₂₁NO — CID 117021966

About (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol

(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol (PubChem CID 117021966) has the molecular formula C₁₀H₂₁NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol.

Molecular Properties

• Compound Name: (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
• PubChem CID: 117021966
• Molecular Formula: C₁₀H₂₁NO
• Molecular Weight: 171.28 g/mol
• Exact Mass: 171.16
• IUPAC Name: (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
• SMILES: CC1C(CO)CCN1C(C)(C)C
• InChI: InChI=1S/C10H21NO/c1-8-9(7-12)5-6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3
• InChIKey: KWZQGQLNWFYMQN-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.28
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?

The IUPAC name of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol (CID 117021966) is (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol.

What is the SMILES notation for (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?

The canonical SMILES for (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol is CC1C(CO)CCN1C(C)(C)C.

What is the InChIKey of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?

The InChIKey is KWZQGQLNWFYMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-9(7-12)5-6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3.

What are the key properties of (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol?

(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1-tert-butyl-2-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 117021966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117021966 — identifiers, structure, computed properties (public domain)

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