4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide

C8H11N3O2 — CID 130456376

IUPAC4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESNC(=O)NC1C=CC(C(N)=O)=CC1
InChIInChI=1S/C8H11N3O2/c9-7(12)5-1-3-6(4-2-5)11-8(10)13/h1-3,6H,4H2,(H2,9,12)(H3,10,11,13)
InChIKeySDKSYKPNFWTVDV-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.61
Rot. Bonds2

About 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide

4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 130456376) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide
PubChem CID130456376
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESNC(=O)NC1C=CC(C(N)=O)=CC1
InChIInChI=1S/C8H11N3O2/c9-7(12)5-1-3-6(4-2-5)11-8(10)13/h1-3,6H,4H2,(H2,9,12)(H3,10,11,13)
InChIKeySDKSYKPNFWTVDV-UHFFFAOYSA-N
XLogP-0.61
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide (CID 130456376) is 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide is NC(=O)NC1C=CC(C(N)=O)=CC1.
What is the InChIKey of 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is SDKSYKPNFWTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7(12)5-1-3-6(4-2-5)11-8(10)13/h1-3,6H,4H2,(H2,9,12)(H3,10,11,13).
What are the key properties of 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide?
4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 130456376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).