(1-cyclobutylpyrrolidin-3-yl)methanediol

C9H17NO2 — CID 167072287

IUPAC(1-cyclobutylpyrrolidin-3-yl)methanediol
SMILESOC(O)C1CCN(C2CCC2)C1
InChIInChI=1S/C9H17NO2/c11-9(12)7-4-5-10(6-7)8-2-1-3-8/h7-9,11-12H,1-6H2
InChIKeyGGVYCJYPVUEBEV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.17
Rot. Bonds2

About (1-cyclobutylpyrrolidin-3-yl)methanediol

(1-cyclobutylpyrrolidin-3-yl)methanediol (PubChem CID 167072287) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-cyclobutylpyrrolidin-3-yl)methanediol.

Molecular Properties

Compound Name(1-cyclobutylpyrrolidin-3-yl)methanediol
PubChem CID167072287
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1-cyclobutylpyrrolidin-3-yl)methanediol
SMILESOC(O)C1CCN(C2CCC2)C1
InChIInChI=1S/C9H17NO2/c11-9(12)7-4-5-10(6-7)8-2-1-3-8/h7-9,11-12H,1-6H2
InChIKeyGGVYCJYPVUEBEV-UHFFFAOYSA-N
XLogP0.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
CID 103983594
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
(3S)-1-cyclopentylpyrrolidin-3-ol
CID 58155463
1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692
4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497284
4-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497292
1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975545
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
1-cyclobutyl-3-(difluoromethoxy)pyrrolidine
CID 130874922

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpyrrolidin-3-yl)methanediol?
The IUPAC name of (1-cyclobutylpyrrolidin-3-yl)methanediol (CID 167072287) is (1-cyclobutylpyrrolidin-3-yl)methanediol.
What is the SMILES notation for (1-cyclobutylpyrrolidin-3-yl)methanediol?
The canonical SMILES for (1-cyclobutylpyrrolidin-3-yl)methanediol is OC(O)C1CCN(C2CCC2)C1.
What is the InChIKey of (1-cyclobutylpyrrolidin-3-yl)methanediol?
The InChIKey is GGVYCJYPVUEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9(12)7-4-5-10(6-7)8-2-1-3-8/h7-9,11-12H,1-6H2.
What are the key properties of (1-cyclobutylpyrrolidin-3-yl)methanediol?
(1-cyclobutylpyrrolidin-3-yl)methanediol has a molecular weight of 171.24 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpyrrolidin-3-yl)methanediol is sourced from PubChem (CID 167072287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).