1-tert-butyl-4-methylpyrrolidin-3-ol

C9H19NO — CID 58311491

IUPAC1-tert-butyl-4-methylpyrrolidin-3-ol
SMILESCC1CN(C(C)(C)C)CC1O
InChIInChI=1S/C9H19NO/c1-7-5-10(6-8(7)11)9(2,3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyFWKLBRSSEVFITH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds

About 1-tert-butyl-4-methylpyrrolidin-3-ol

1-tert-butyl-4-methylpyrrolidin-3-ol (PubChem CID 58311491) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-4-methylpyrrolidin-3-ol
PubChem CID58311491
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-tert-butyl-4-methylpyrrolidin-3-ol
SMILESCC1CN(C(C)(C)C)CC1O
InChIInChI=1S/C9H19NO/c1-7-5-10(6-8(7)11)9(2,3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyFWKLBRSSEVFITH-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butyl-4-methylpyrrolidin-3-ol (CID 58311491) is 1-tert-butyl-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butyl-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butyl-4-methylpyrrolidin-3-ol is CC1CN(C(C)(C)C)CC1O.
What is the InChIKey of 1-tert-butyl-4-methylpyrrolidin-3-ol?
The InChIKey is FWKLBRSSEVFITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-5-10(6-8(7)11)9(2,3)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylpyrrolidin-3-ol?
1-tert-butyl-4-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 58311491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).