5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide

C9H12N2O2 — CID 139905860

IUPAC5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide
SMILESCNC(=O)C1=CC=CC1=C(O)NC
InChIInChI=1S/C9H12N2O2/c1-10-8(12)6-4-3-5-7(6)9(13)11-2/h3-5,10,12H,1-2H3,(H,11,13)
InChIKeyKWFHYBVCUHHTIN-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.22
Rot. Bonds2

About 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide

5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 139905860) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide
PubChem CID139905860
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide
SMILESCNC(=O)C1=CC=CC1=C(O)NC
InChIInChI=1S/C9H12N2O2/c1-10-8(12)6-4-3-5-7(6)9(13)11-2/h3-5,10,12H,1-2H3,(H,11,13)
InChIKeyKWFHYBVCUHHTIN-UHFFFAOYSA-N
XLogP0.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-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 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide (CID 139905860) is 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide is CNC(=O)C1=CC=CC1=C(O)NC.
What is the InChIKey of 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is KWFHYBVCUHHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-10-8(12)6-4-3-5-7(6)9(13)11-2/h3-5,10,12H,1-2H3,(H,11,13).
What are the key properties of 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide?
5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(methylamino)methylidene]-N-methylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 139905860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).