(1-aminopyrrolidin-2-yl)methanol

C5H12N2O — CID 13311692

IUPAC(1-aminopyrrolidin-2-yl)methanol
SMILESNN1CCCC1CO
InChIInChI=1S/C5H12N2O/c6-7-3-1-2-5(7)4-8/h5,8H,1-4,6H2
InChIKeyOQSFVLZVNOBDDJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.68
Rot. Bonds1

About (1-aminopyrrolidin-2-yl)methanol

(1-aminopyrrolidin-2-yl)methanol (PubChem CID 13311692) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (1-aminopyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-aminopyrrolidin-2-yl)methanol
PubChem CID13311692
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(1-aminopyrrolidin-2-yl)methanol
SMILESNN1CCCC1CO
InChIInChI=1S/C5H12N2O/c6-7-3-1-2-5(7)4-8/h5,8H,1-4,6H2
InChIKeyOQSFVLZVNOBDDJ-UHFFFAOYSA-N
XLogP-0.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminopyrrolidin-2-yl)ethanol
CID 66958210
[(2S)-1-chloropyrrolidin-2-yl]methanol
CID 89280980
2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine
CID 68770074
[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol
CID 169020571
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
[(2S)-1-aminopyrrolidin-2-yl]methyl dihydrogen phosphate
CID 142914002
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331

Frequently Asked Questions

What is the IUPAC name of (1-aminopyrrolidin-2-yl)methanol?
The IUPAC name of (1-aminopyrrolidin-2-yl)methanol (CID 13311692) is (1-aminopyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-aminopyrrolidin-2-yl)methanol?
The canonical SMILES for (1-aminopyrrolidin-2-yl)methanol is NN1CCCC1CO.
What is the InChIKey of (1-aminopyrrolidin-2-yl)methanol?
The InChIKey is OQSFVLZVNOBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-7-3-1-2-5(7)4-8/h5,8H,1-4,6H2.
What are the key properties of (1-aminopyrrolidin-2-yl)methanol?
(1-aminopyrrolidin-2-yl)methanol has a molecular weight of 116.16 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopyrrolidin-2-yl)methanol is sourced from PubChem (CID 13311692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).