bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone

C13H11NO — CID 22757609

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.c1cc2ccc1-2
InChIInChI=1S/C7H7NO.C6H4/c1-6(9)7-4-2-3-5-8-7;1-2-6-4-3-5(1)6/h2-5H,1H3;1-4H
InChIKeyHGUWDTCUYJGQEW-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.95
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone

bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone (PubChem CID 22757609) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
PubChem CID22757609
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
SMILESCC(=O)c1ccccn1.c1cc2ccc1-2
InChIInChI=1S/C7H7NO.C6H4/c1-6(9)7-4-2-3-5-8-7;1-2-6-4-3-5(1)6/h2-5H,1H3;1-4H
InChIKeyHGUWDTCUYJGQEW-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
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CID 169427217
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
1-pyridin-2-ylethanone;quinoline
CID 175538468
1,7-dihydropurin-6-one;1-pyridin-2-ylethanone
CID 135827974
acetyl bromide;pyridine-2-carboxamide
CID 175817538
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
phosphanyl(pyridin-2-yl)methanone
CID 89397457
ethane;pyridine-2-carbonyl chloride
CID 158598971
gadolinium;pyridine-2-carboxylic acid
CID 175231422
ethane;pyridine-2-carbonyl fluoride
CID 161184414

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone (CID 22757609) is bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone is CC(=O)c1ccccn1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone?
The InChIKey is HGUWDTCUYJGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C6H4/c1-6(9)7-4-2-3-5-8-7;1-2-6-4-3-5(1)6/h2-5H,1H3;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone?
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone has a molecular weight of 197.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone is sourced from PubChem (CID 22757609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).