1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone

C18H16N2O — CID 62140198

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H16N2O/c21-18(15-9-8-13-5-3-6-14(13)10-15)12-20-17-7-2-1-4-16(17)11-19-20/h1-2,4,7-11H,3,5-6,12H2
InChIKeyCKZUAEFXNJRIQH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.41
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone (PubChem CID 62140198) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
PubChem CID62140198
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H16N2O/c21-18(15-9-8-13-5-3-6-14(13)10-15)12-20-17-7-2-1-4-16(17)11-19-20/h1-2,4,7-11H,3,5-6,12H2
InChIKeyCKZUAEFXNJRIQH-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-indazol-1-ylacetyl)benzonitrile
CID 62141504
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3-methylquinazoline-2,4-dione
CID 91962397
1-(2,5-difluorophenyl)-2-indazol-1-ylethanone
CID 62139619
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061893
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
2-indazol-1-yl-1-(2-methoxyphenyl)ethanone
CID 62140573
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312250

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone (CID 62140198) is 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone is O=C(Cn1ncc2ccccc21)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone?
The InChIKey is CKZUAEFXNJRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(15-9-8-13-5-3-6-14(13)10-15)12-20-17-7-2-1-4-16(17)11-19-20/h1-2,4,7-11H,3,5-6,12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone is sourced from PubChem (CID 62140198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).