N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide

C11H11NO — CID 59861895

IUPACN-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11NO/c13-11(9-5-1-2-6-9)12-10-7-3-4-8-10/h1-5,7H,6,8H2,(H,12,13)
InChIKeyBFGIRFLOTYLRRX-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.83
Rot. Bonds2

About N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide

N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 59861895) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide
PubChem CID59861895
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC NameN-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C11H11NO/c13-11(9-5-1-2-6-9)12-10-7-3-4-8-10/h1-5,7H,6,8H2,(H,12,13)
InChIKeyBFGIRFLOTYLRRX-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide (CID 59861895) is N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide is O=C(NC1=CC=CC1)C1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is BFGIRFLOTYLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11(9-5-1-2-6-9)12-10-7-3-4-8-10/h1-5,7H,6,8H2,(H,12,13).
What are the key properties of N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide?
N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 173.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 59861895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).