[1-(3-methylbutyl)pyrrolidin-3-yl]methanol

C10H21NO — CID 10241251

IUPAC[1-(3-methylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CCC(CO)C1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-11-6-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyYPYYTSAUHMYGSO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.35
Rot. Bonds4

About [1-(3-methylbutyl)pyrrolidin-3-yl]methanol

[1-(3-methylbutyl)pyrrolidin-3-yl]methanol (PubChem CID 10241251) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [1-(3-methylbutyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylbutyl)pyrrolidin-3-yl]methanol
PubChem CID10241251
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[1-(3-methylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CCN1CCC(CO)C1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-11-6-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyYPYYTSAUHMYGSO-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-methylbutyl)pyrrolidin-3-yl]methanol (CID 10241251) is [1-(3-methylbutyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-methylbutyl)pyrrolidin-3-yl]methanol is CC(C)CCN1CCC(CO)C1.
What is the InChIKey of [1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
The InChIKey is YPYYTSAUHMYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)3-5-11-6-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [1-(3-methylbutyl)pyrrolidin-3-yl]methanol?
[1-(3-methylbutyl)pyrrolidin-3-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 10241251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).