2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide

C12H12N4O2 — CID 24987950

IUPAC2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide
SMILESC=Cc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C12H12N4O2/c1-2-6-3-4-7-8(5-6)15-11(16-12(14)18)9(7)10(13)17/h2-5,15H,1H2,(H2,13,17)(H3,14,16,18)
InChIKeyIWTJWVKNAUQJHN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.40
Rot. Bonds3

About 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide

2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide (PubChem CID 24987950) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide
PubChem CID24987950
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide
SMILESC=Cc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C12H12N4O2/c1-2-6-3-4-7-8(5-6)15-11(16-12(14)18)9(7)10(13)17/h2-5,15H,1H2,(H2,13,17)(H3,14,16,18)
InChIKeyIWTJWVKNAUQJHN-UHFFFAOYSA-N
XLogP1.40
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide (CID 24987950) is 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide is C=Cc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1.
What is the InChIKey of 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide?
The InChIKey is IWTJWVKNAUQJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-2-6-3-4-7-8(5-6)15-11(16-12(14)18)9(7)10(13)17/h2-5,15H,1H2,(H2,13,17)(H3,14,16,18).
What are the key properties of 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-ethenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 24987950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).