7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole

C13H19NO — CID 106701883

IUPAC7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole
SMILESCOc1cccc2c1NCC2(C)C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)13(3)8-14-12-10(13)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3
InChIKeyNBVCQEHRHKPWOD-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.03
Rot. Bonds2

About 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole

7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole (PubChem CID 106701883) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole.

Molecular Properties

Compound Name7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole
PubChem CID106701883
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole
SMILESCOc1cccc2c1NCC2(C)C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)13(3)8-14-12-10(13)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3
InChIKeyNBVCQEHRHKPWOD-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115098056
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
5-methoxy-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84635730
6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
CID 115099780
5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777218
2-(7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594229
3-(2-methoxyphenyl)-3,5,5-trimethylpiperidine
CID 82290208

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The IUPAC name of 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole (CID 106701883) is 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole.
What is the SMILES notation for 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The canonical SMILES for 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole is COc1cccc2c1NCC2(C)C(C)C.
What is the InChIKey of 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The InChIKey is NBVCQEHRHKPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)13(3)8-14-12-10(13)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole?
7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole has a molecular weight of 205.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole is sourced from PubChem (CID 106701883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).