[2-(2-methylpropyl)pyrrolidin-2-yl]methanol

C9H19NO — CID 75488627

IUPAC[2-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CC1(CO)CCCN1
InChIInChI=1S/C9H19NO/c1-8(2)6-9(7-11)4-3-5-10-9/h8,10-11H,3-7H2,1-2H3
InChIKeyKWJAQKNXBIWDPO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

About [2-(2-methylpropyl)pyrrolidin-2-yl]methanol

[2-(2-methylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 75488627) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [2-(2-methylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylpropyl)pyrrolidin-2-yl]methanol
PubChem CID75488627
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[2-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CC1(CO)CCCN1
InChIInChI=1S/C9H19NO/c1-8(2)6-9(7-11)4-3-5-10-9/h8,10-11H,3-7H2,1-2H3
InChIKeyKWJAQKNXBIWDPO-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [2-(2-methylpropyl)pyrrolidin-2-yl]methanol (CID 75488627) is [2-(2-methylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-(2-methylpropyl)pyrrolidin-2-yl]methanol is CC(C)CC1(CO)CCCN1.
What is the InChIKey of [2-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is KWJAQKNXBIWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-9(7-11)4-3-5-10-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)pyrrolidin-2-yl]methanol?
[2-(2-methylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 75488627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).