1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol

C10H21NO2 — CID 115758768

IUPAC1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CCCO
InChIInChI=1S/C10H21NO2/c1-9(13)8-10-4-2-5-11(10)6-3-7-12/h9-10,12-13H,2-8H2,1H3
InChIKeyMXNLZOSRNPMURG-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.60
Rot. Bonds5

About 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 115758768) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID115758768
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CCCO
InChIInChI=1S/C10H21NO2/c1-9(13)8-10-4-2-5-11(10)6-3-7-12/h9-10,12-13H,2-8H2,1H3
InChIKeyMXNLZOSRNPMURG-UHFFFAOYSA-N
XLogP0.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-ethylsulfanylpropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758845
1-[1-(2-cyclopropylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758812
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
1-(1-pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol (CID 115758768) is 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1CCCO.
What is the InChIKey of 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is MXNLZOSRNPMURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(13)8-10-4-2-5-11(10)6-3-7-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 115758768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).