N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide

C10H11NO — CID 2753031

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
SMILESCC(=O)NC1Cc2ccccc21
InChIInChI=1S/C10H11NO/c1-7(12)11-10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyZVARUFDMMLXZBD-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.42
Rot. Bonds1

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide (PubChem CID 2753031) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
PubChem CID2753031
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
SMILESCC(=O)NC1Cc2ccccc21
InChIInChI=1S/C10H11NO/c1-7(12)11-10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyZVARUFDMMLXZBD-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 93234150
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 10220953
N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 147490367
(1-acetamido-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 87314664
N-(3-oxo-1,2-dihydrophenalen-2-yl)acetamide
CID 10586071
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide (CID 2753031) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide is CC(=O)NC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide?
The InChIKey is ZVARUFDMMLXZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(12)11-10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide has a molecular weight of 161.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide is sourced from PubChem (CID 2753031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).