N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide

C10H14N2O2 — CID 102026166

IUPACN-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1C=CC=C1
InChIInChI=1S/C10H14N2O2/c1-8(13)11-6-7-12-10(14)9-4-2-3-5-9/h2-5,9H,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyJCTDIJLFPAZTGP-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.02
Rot. Bonds4

About N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide

N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide (PubChem CID 102026166) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide
PubChem CID102026166
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1C=CC=C1
InChIInChI=1S/C10H14N2O2/c1-8(13)11-6-7-12-10(14)9-4-2-3-5-9/h2-5,9H,6-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyJCTDIJLFPAZTGP-UHFFFAOYSA-N
XLogP-0.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)cyclopenta-2,4-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 N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide (CID 102026166) is N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide is CC(=O)NCCNC(=O)C1C=CC=C1.
What is the InChIKey of N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is JCTDIJLFPAZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(13)11-6-7-12-10(14)9-4-2-3-5-9/h2-5,9H,6-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide?
N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 194.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 102026166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).