4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide

C10H14N4O2 — CID 123317716

IUPAC4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide
SMILES[H]/N=C/N(C)C(=O)c1c(CC(N)=O)c[nH]c1C
InChIInChI=1S/C10H14N4O2/c1-6-9(10(16)14(2)5-11)7(4-13-6)3-8(12)15/h4-5,11,13H,3H2,1-2H3,(H2,12,15)/b11-5+
InChIKeyXXPJBAXJHKXLPO-VZUCSPMQSA-N
MW222.25 g/mol
LogP0.03
Rot. Bonds4

About 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide

4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 123317716) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID123317716
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide
SMILES[H]/N=C/N(C)C(=O)c1c(CC(N)=O)c[nH]c1C
InChIInChI=1S/C10H14N4O2/c1-6-9(10(16)14(2)5-11)7(4-13-6)3-8(12)15/h4-5,11,13H,3H2,1-2H3,(H2,12,15)/b11-5+
InChIKeyXXPJBAXJHKXLPO-VZUCSPMQSA-N
XLogP0.03
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide (CID 123317716) is 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide is [H]/N=C/N(C)C(=O)c1c(CC(N)=O)c[nH]c1C.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is XXPJBAXJHKXLPO-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-9(10(16)14(2)5-11)7(4-13-6)3-8(12)15/h4-5,11,13H,3H2,1-2H3,(H2,12,15)/b11-5+.
What are the key properties of 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide?
4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-methanimidoyl-N,2-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 123317716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).