2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol

C6H12N2O — CID 89091294

IUPAC2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol
SMILESNC(=CO)[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O/c7-5(4-9)6-2-1-3-8-6/h4,6,8-9H,1-3,7H2/t6-/m0/s1
InChIKeyPGNBYLGZVUPIHR-LURJTMIESA-N
MW128.18 g/mol
LogP0.10
Rot. Bonds1

About 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol

2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol (PubChem CID 89091294) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol.

Molecular Properties

Compound Name2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol
PubChem CID89091294
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol
SMILESNC(=CO)[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O/c7-5(4-9)6-2-1-3-8-6/h4,6,8-9H,1-3,7H2/t6-/m0/s1
InChIKeyPGNBYLGZVUPIHR-LURJTMIESA-N
XLogP0.10
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
formic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 67621740
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
2-[(E)-pent-2-en-3-yl]pyrrolidine
CID 55299254

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol?
The IUPAC name of 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol (CID 89091294) is 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol.
What is the SMILES notation for 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol?
The canonical SMILES for 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol is NC(=CO)[C@@H]1CCCN1.
What is the InChIKey of 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol?
The InChIKey is PGNBYLGZVUPIHR-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O/c7-5(4-9)6-2-1-3-8-6/h4,6,8-9H,1-3,7H2/t6-/m0/s1.
What are the key properties of 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol?
2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol has a molecular weight of 128.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2S)-pyrrolidin-2-yl]ethenol is sourced from PubChem (CID 89091294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).