N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide

C7H9N3O2 — CID 515622

IUPACN-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
SMILESN#CCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11)
InChIKeyFYCHIMHKWHKPSA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.10
Rot. Bonds2

About N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide

N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 515622) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID515622
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
SMILESN#CCNC(=O)C1CCC(=O)N1
InChIInChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11)
InChIKeyFYCHIMHKWHKPSA-UHFFFAOYSA-N
XLogP-1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101
(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 131100347
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
N-(cyanomethyl)-4-oxocyclohexane-1-carboxamide
CID 130606500
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide (CID 515622) is N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide is N#CCNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FYCHIMHKWHKPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-4-9-7(12)5-1-2-6(11)10-5/h5H,1-2,4H2,(H,9,12)(H,10,11).
What are the key properties of N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide?
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 515622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).