2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone

C21H20N2O — CID 90725768

IUPAC2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
SMILESO=C(C1CCc2[nH]c3ccccc3c2C1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O/c24-21(23-12-11-14-5-1-4-8-20(14)23)15-9-10-19-17(13-15)16-6-2-3-7-18(16)22-19/h1-8,15,22H,9-13H2
InChIKeyWWOCDDMJUNODAL-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.86
Rot. Bonds1

About 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone

2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone (PubChem CID 90725768) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
PubChem CID90725768
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
SMILESO=C(C1CCc2[nH]c3ccccc3c2C1)N1CCc2ccccc21
InChIInChI=1S/C21H20N2O/c24-21(23-12-11-14-5-1-4-8-20(14)23)15-9-10-19-17(13-15)16-6-2-3-7-18(16)22-19/h1-8,15,22H,9-13H2
InChIKeyWWOCDDMJUNODAL-UHFFFAOYSA-N
XLogP3.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203593
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203525

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone (CID 90725768) is 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone is O=C(C1CCc2[nH]c3ccccc3c2C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
The InChIKey is WWOCDDMJUNODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(23-12-11-14-5-1-4-8-20(14)23)15-9-10-19-17(13-15)16-6-2-3-7-18(16)22-19/h1-8,15,22H,9-13H2.
What are the key properties of 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone?
2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone is sourced from PubChem (CID 90725768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).