(2-oxo-2-pyrrolidin-1-ylethyl)azanium

C6H13N2O+ — CID 40787505

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl)azanium
SMILES[NH3+]CC(=O)N1CCCC1
InChIInChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2/p+1
InChIKeySJNAQBNIUKINQH-UHFFFAOYSA-O
MW129.18 g/mol
LogP-1.15
Rot. Bonds1

About (2-oxo-2-pyrrolidin-1-ylethyl)azanium

(2-oxo-2-pyrrolidin-1-ylethyl)azanium (PubChem CID 40787505) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl)azanium.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl)azanium
PubChem CID40787505
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl)azanium
SMILES[NH3+]CC(=O)N1CCCC1
InChIInChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2/p+1
InChIKeySJNAQBNIUKINQH-UHFFFAOYSA-O
XLogP-1.15
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Aminoethyl)pyrrolidin-2-one
CID 90660
(R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
CID 10607286
(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one
CID 11389441
2-(Methylamino)-1-(pyrrolidin-1-yl)ethanone
CID 7131536
2-Pyrrolidinone, 1-(2-aminoethyl)-, monohydrochloride
CID 3022039
2-Oxo-2-pyrrolidin-1-ylethanamine
CID 11205761
2-Amino-N-methyl-N-(4-(1-pyrrolidinyl)-2-butyn-1-yl)acetamide
CID 577938
1-Pyrrolidineacetamide
CID 13475825
1-(3-Aminopyrrolidin-1-yl)ethan-1-one
CID 11217265
2-Amino-1-(pyrrolidin-1-yl)propan-1-one hydrochloride
CID 19897326
2-Amino-1-(pyrrolidin-1-yl)ethan-1-one hydrochloride
CID 21949208
(2S)-2-amino-1-(pyrrolidin-1-yl)propan-1-one hydrochloride
CID 22844332

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl)azanium?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl)azanium (CID 40787505) is (2-oxo-2-pyrrolidin-1-ylethyl)azanium.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl)azanium?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl)azanium is [NH3+]CC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl)azanium?
The InChIKey is SJNAQBNIUKINQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2/p+1.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl)azanium?
(2-oxo-2-pyrrolidin-1-ylethyl)azanium has a molecular weight of 129.18 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl)azanium is sourced from PubChem (CID 40787505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).