7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one

C20H19NO2 — CID 3905682

IUPAC7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3c4ccccc4CC3C)cc(=O)oc2c1
InChIInChI=1S/C20H19NO2/c1-13-7-8-17-16(11-20(22)23-19(17)9-13)12-21-14(2)10-15-5-3-4-6-18(15)21/h3-9,11,14H,10,12H2,1-2H3
InChIKeyLHMOHDCOJBKIFK-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds2

About 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one

7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one (PubChem CID 3905682) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one
PubChem CID3905682
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3c4ccccc4CC3C)cc(=O)oc2c1
InChIInChI=1S/C20H19NO2/c1-13-7-8-17-16(11-20(22)23-19(17)9-13)12-21-14(2)10-15-5-3-4-6-18(15)21/h3-9,11,14H,10,12H2,1-2H3
InChIKeyLHMOHDCOJBKIFK-UHFFFAOYSA-N
XLogP4.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one (CID 3905682) is 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one is Cc1ccc2c(CN3c4ccccc4CC3C)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one?
The InChIKey is LHMOHDCOJBKIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-7-8-17-16(11-20(22)23-19(17)9-13)12-21-14(2)10-15-5-3-4-6-18(15)21/h3-9,11,14H,10,12H2,1-2H3.
What are the key properties of 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one?
7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one has a molecular weight of 305.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 3905682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).