1-nitrosopyrrolidine-2-carboxamide

C5H9N3O2 — CID 55290027

IUPAC1-nitrosopyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1N=O
InChIInChI=1S/C5H9N3O2/c6-5(9)4-2-1-3-8(4)7-10/h4H,1-3H2,(H2,6,9)
InChIKeyMDITUBMLGCNJBG-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.38
Rot. Bonds2

About 1-nitrosopyrrolidine-2-carboxamide

1-nitrosopyrrolidine-2-carboxamide (PubChem CID 55290027) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-nitrosopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-nitrosopyrrolidine-2-carboxamide
PubChem CID55290027
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-nitrosopyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1N=O
InChIInChI=1S/C5H9N3O2/c6-5(9)4-2-1-3-8(4)7-10/h4H,1-3H2,(H2,6,9)
InChIKeyMDITUBMLGCNJBG-UHFFFAOYSA-N
XLogP-0.38
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
CID 175675318
(2S)-1-iodopyrrolidine-2-carboxamide
CID 90471398
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-nitrosoazetidine-2-carboxylic acid
CID 542270
1-(oxomethyl)pyrrolidine-2-carboxamide
CID 154541895
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
(2S)-1-deuteriooxypyrrolidine-2-carboxamide
CID 140857244
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
CID 59293963
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
1-piperidin-1-ylpyrrolidine-2-carboxamide
CID 70164844

Frequently Asked Questions

What is the IUPAC name of 1-nitrosopyrrolidine-2-carboxamide?
The IUPAC name of 1-nitrosopyrrolidine-2-carboxamide (CID 55290027) is 1-nitrosopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-nitrosopyrrolidine-2-carboxamide?
The canonical SMILES for 1-nitrosopyrrolidine-2-carboxamide is NC(=O)C1CCCN1N=O.
What is the InChIKey of 1-nitrosopyrrolidine-2-carboxamide?
The InChIKey is MDITUBMLGCNJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-5(9)4-2-1-3-8(4)7-10/h4H,1-3H2,(H2,6,9).
What are the key properties of 1-nitrosopyrrolidine-2-carboxamide?
1-nitrosopyrrolidine-2-carboxamide has a molecular weight of 143.15 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosopyrrolidine-2-carboxamide is sourced from PubChem (CID 55290027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).