2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone

C30H24N2O2 — CID 67895766

IUPAC2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cccc2c1NCC2.O=C(c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C15H13NO.C15H11NO/c2*17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2;1-10,16H
InChIKeyGCHBUGTULPYJDF-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.28
Rot. Bonds4

About 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone

2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone (PubChem CID 67895766) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone
PubChem CID67895766
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cccc2c1NCC2.O=C(c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C15H13NO.C15H11NO/c2*17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2;1-10,16H
InChIKeyGCHBUGTULPYJDF-UHFFFAOYSA-N
XLogP6.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone (CID 67895766) is 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone is O=C(c1ccccc1)c1cccc2c1NCC2.O=C(c1ccccc1)c1cccc2cc[nH]c12.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone?
The InChIKey is GCHBUGTULPYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.C15H11NO/c2*17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2;1-10,16H.
What are the key properties of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone?
2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone has a molecular weight of 444.53 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl(phenyl)methanone;1H-indol-7-yl(phenyl)methanone is sourced from PubChem (CID 67895766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).