(2-oxopyrrolidin-3-yl)azanium

C4H9N2O+ — CID 21337749

IUPAC(2-oxopyrrolidin-3-yl)azanium
SMILES[NH3+]C1CCNC1=O
InChIInChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/p+1
InChIKeyYNDAMDVOGKACTP-UHFFFAOYSA-O
MW101.13 g/mol
LogP-1.88
Rot. Bonds

About (2-oxopyrrolidin-3-yl)azanium

(2-oxopyrrolidin-3-yl)azanium (PubChem CID 21337749) has the molecular formula C4H9N2O+ and a molecular weight of 101.13 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl)azanium.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl)azanium
PubChem CID21337749
Molecular FormulaC4H9N2O+
Molecular Weight101.13 g/mol
Exact Mass101.07
IUPAC Name(2-oxopyrrolidin-3-yl)azanium
SMILES[NH3+]C1CCNC1=O
InChIInChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/p+1
InChIKeyYNDAMDVOGKACTP-UHFFFAOYSA-O
XLogP-1.88
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
3-aminopyrrolidin-2-one
CID 158709416
3-sulfanylpyrrolidin-2-one
CID 19797264
3,4-diiodopiperidin-2-one
CID 67270364
[(4R)-2-oxopiperidin-4-yl]azanium
CID 27282256
3,4-dibromopiperidin-2-one
CID 67271185
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
3-cyclobutylpyrrolidin-2-one
CID 105428038
(3R)-3-ethynylpyrrolidin-2-one
CID 150282029
3-tert-butylpyrrolidin-2-one
CID 23448210

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl)azanium?
The IUPAC name of (2-oxopyrrolidin-3-yl)azanium (CID 21337749) is (2-oxopyrrolidin-3-yl)azanium.
What is the SMILES notation for (2-oxopyrrolidin-3-yl)azanium?
The canonical SMILES for (2-oxopyrrolidin-3-yl)azanium is [NH3+]C1CCNC1=O.
What is the InChIKey of (2-oxopyrrolidin-3-yl)azanium?
The InChIKey is YNDAMDVOGKACTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/p+1.
What are the key properties of (2-oxopyrrolidin-3-yl)azanium?
(2-oxopyrrolidin-3-yl)azanium has a molecular weight of 101.13 g/mol, XLogP of -1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl)azanium is sourced from PubChem (CID 21337749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).