N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide

C13H13NO2 — CID 101204507

IUPACN-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(CNC(=O)C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C13H13NO2/c15-12(10-5-1-2-6-10)9-14-13(16)11-7-3-4-8-11/h1-8,10-11H,9H2,(H,14,16)
InChIKeyIQDXDWSYSCDRSA-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.16
Rot. Bonds4

About N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide

N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide (PubChem CID 101204507) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
PubChem CID101204507
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(CNC(=O)C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C13H13NO2/c15-12(10-5-1-2-6-10)9-14-13(16)11-7-3-4-8-11/h1-8,10-11H,9H2,(H,14,16)
InChIKeyIQDXDWSYSCDRSA-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide (CID 101204507) is N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide is O=C(CNC(=O)C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is IQDXDWSYSCDRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12(10-5-1-2-6-10)9-14-13(16)11-7-3-4-8-11/h1-8,10-11H,9H2,(H,14,16).
What are the key properties of N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopenta-2,4-dien-1-yl-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 101204507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).