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

C8H10N2O2 — CID 101473606

IUPACN-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
SMILESNC(=O)CNC(=O)C1C=CC=C1
InChIInChI=1S/C8H10N2O2/c9-7(11)5-10-8(12)6-3-1-2-4-6/h1-4,6H,5H2,(H2,9,11)(H,10,12)
InChIKeyWEGGDVOJSQPTKL-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.67
Rot. Bonds3

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

N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide (PubChem CID 101473606) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
PubChem CID101473606
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide
SMILESNC(=O)CNC(=O)C1C=CC=C1
InChIInChI=1S/C8H10N2O2/c9-7(11)5-10-8(12)6-3-1-2-4-6/h1-4,6H,5H2,(H2,9,11)(H,10,12)
InChIKeyWEGGDVOJSQPTKL-UHFFFAOYSA-N
XLogP-0.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide (CID 101473606) is N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide is NC(=O)CNC(=O)C1C=CC=C1.
What is the InChIKey of N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is WEGGDVOJSQPTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7(11)5-10-8(12)6-3-1-2-4-6/h1-4,6H,5H2,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide?
N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 101473606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).