1-oxidopyrrolidin-3-amine

C4H9N2O- — CID 163808177

IUPAC1-oxidopyrrolidin-3-amine
SMILESNC1CCN([O-])C1
InChIInChI=1S/C4H9N2O/c5-4-1-2-6(7)3-4/h4H,1-3,5H2/q-1
InChIKeyHTODWIGMHMEZJX-UHFFFAOYSA-N
MW101.13 g/mol
LogP-0.48
Rot. Bonds

About 1-oxidopyrrolidin-3-amine

1-oxidopyrrolidin-3-amine (PubChem CID 163808177) has the molecular formula C4H9N2O- and a molecular weight of 101.13 g/mol. Its IUPAC name is 1-oxidopyrrolidin-3-amine.

Molecular Properties

Compound Name1-oxidopyrrolidin-3-amine
PubChem CID163808177
Molecular FormulaC4H9N2O-
Molecular Weight101.13 g/mol
Exact Mass101.07
IUPAC Name1-oxidopyrrolidin-3-amine
SMILESNC1CCN([O-])C1
InChIInChI=1S/C4H9N2O/c5-4-1-2-6(7)3-4/h4H,1-3,5H2/q-1
InChIKeyHTODWIGMHMEZJX-UHFFFAOYSA-N
XLogP-0.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-ylpyrrolidin-3-amine
CID 57189735
1-[(3R)-3-aminopiperidin-1-yl]piperidin-3-amine
CID 174874713
1-(3-aminopiperidin-1-yl)piperidin-3-amine
CID 174794184
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
1-(trideuteriomethyl)pyrrolidin-3-amine
CID 171034745
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942

Frequently Asked Questions

What is the IUPAC name of 1-oxidopyrrolidin-3-amine?
The IUPAC name of 1-oxidopyrrolidin-3-amine (CID 163808177) is 1-oxidopyrrolidin-3-amine.
What is the SMILES notation for 1-oxidopyrrolidin-3-amine?
The canonical SMILES for 1-oxidopyrrolidin-3-amine is NC1CCN([O-])C1.
What is the InChIKey of 1-oxidopyrrolidin-3-amine?
The InChIKey is HTODWIGMHMEZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O/c5-4-1-2-6(7)3-4/h4H,1-3,5H2/q-1.
What are the key properties of 1-oxidopyrrolidin-3-amine?
1-oxidopyrrolidin-3-amine has a molecular weight of 101.13 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrrolidin-3-amine is sourced from PubChem (CID 163808177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).