3-[(2S)-pyrrolidin-2-yl]pentan-3-ol

C9H19NO — CID 10534938

IUPAC3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
SMILESCCC(O)(CC)[C@@H]1CCCN1
InChIInChI=1S/C9H19NO/c1-3-9(11,4-2)8-6-5-7-10-8/h8,10-11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDMMFTFFHARXYQI-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds3

About 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol

3-[(2S)-pyrrolidin-2-yl]pentan-3-ol (PubChem CID 10534938) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
PubChem CID10534938
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
SMILESCCC(O)(CC)[C@@H]1CCCN1
InChIInChI=1S/C9H19NO/c1-3-9(11,4-2)8-6-5-7-10-8/h8,10-11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDMMFTFFHARXYQI-QMMMGPOBSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol?
The IUPAC name of 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol (CID 10534938) is 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol.
What is the SMILES notation for 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol?
The canonical SMILES for 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol is CCC(O)(CC)[C@@H]1CCCN1.
What is the InChIKey of 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol?
The InChIKey is DMMFTFFHARXYQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(11,4-2)8-6-5-7-10-8/h8,10-11H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol?
3-[(2S)-pyrrolidin-2-yl]pentan-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-pyrrolidin-2-yl]pentan-3-ol is sourced from PubChem (CID 10534938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).