(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide

C10H11NO2 — CID 89159128

IUPAC(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide
SMILESO=NC(=O)C1C[C@@H]1C1C=CC=CC1
InChIInChI=1S/C10H11NO2/c12-10(11-13)9-6-8(9)7-4-2-1-3-5-7/h1-4,7-9H,5-6H2/t7?,8-,9?/m1/s1
InChIKeyFTWKFYOIKGPRGG-QJAFJHJLSA-N
MW177.20 g/mol
LogP2.05
Rot. Bonds2

About (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide

(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide (PubChem CID 89159128) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide
PubChem CID89159128
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide
SMILESO=NC(=O)C1C[C@@H]1C1C=CC=CC1
InChIInChI=1S/C10H11NO2/c12-10(11-13)9-6-8(9)7-4-2-1-3-5-7/h1-4,7-9H,5-6H2/t7?,8-,9?/m1/s1
InChIKeyFTWKFYOIKGPRGG-QJAFJHJLSA-N
XLogP2.05
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide?
The IUPAC name of (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide (CID 89159128) is (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide?
The canonical SMILES for (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide is O=NC(=O)C1C[C@@H]1C1C=CC=CC1.
What is the InChIKey of (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide?
The InChIKey is FTWKFYOIKGPRGG-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(11-13)9-6-8(9)7-4-2-1-3-5-7/h1-4,7-9H,5-6H2/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide?
(2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexa-2,4-dien-1-yl-N-oxocyclopropane-1-carboxamide is sourced from PubChem (CID 89159128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).