N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide

C8H10N4O2 — CID 170631537

IUPACN-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide
SMILESCn1cc(CC(C#N)NC=O)[nH]c1=O
InChIInChI=1S/C8H10N4O2/c1-12-4-7(11-8(12)14)2-6(3-9)10-5-13/h4-6H,2H2,1H3,(H,10,13)(H,11,14)
InChIKeyCVUFTPDFVLAFAN-UHFFFAOYSA-N
MW194.19 g/mol
LogP-1.11
Rot. Bonds4

About N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide

N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide (PubChem CID 170631537) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide
PubChem CID170631537
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide
SMILESCn1cc(CC(C#N)NC=O)[nH]c1=O
InChIInChI=1S/C8H10N4O2/c1-12-4-7(11-8(12)14)2-6(3-9)10-5-13/h4-6H,2H2,1H3,(H,10,13)(H,11,14)
InChIKeyCVUFTPDFVLAFAN-UHFFFAOYSA-N
XLogP-1.11
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyano-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
CID 170631698
2-(Methylamino)-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanenitrile
CID 170631752

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide?
The IUPAC name of N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide (CID 170631537) is N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide.
What is the SMILES notation for N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide?
The canonical SMILES for N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide is Cn1cc(CC(C#N)NC=O)[nH]c1=O.
What is the InChIKey of N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide?
The InChIKey is CVUFTPDFVLAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-12-4-7(11-8(12)14)2-6(3-9)10-5-13/h4-6H,2H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide?
N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide has a molecular weight of 194.19 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(3-methyl-2-oxo-1H-imidazol-5-yl)ethyl]formamide is sourced from PubChem (CID 170631537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).