1-cyclopropyl-4-methoxy-3-methylindole

C13H15NO — CID 91447523

IUPAC1-cyclopropyl-4-methoxy-3-methylindole
SMILESCOc1cccc2c1c(C)cn2C1CC1
InChIInChI=1S/C13H15NO/c1-9-8-14(10-6-7-10)11-4-3-5-12(15-2)13(9)11/h3-5,8,10H,6-7H2,1-2H3
InChIKeyNKMCZOPPDWIEKV-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.29
Rot. Bonds2

About 1-cyclopropyl-4-methoxy-3-methylindole

1-cyclopropyl-4-methoxy-3-methylindole (PubChem CID 91447523) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-cyclopropyl-4-methoxy-3-methylindole.

Molecular Properties

Compound Name1-cyclopropyl-4-methoxy-3-methylindole
PubChem CID91447523
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-cyclopropyl-4-methoxy-3-methylindole
SMILESCOc1cccc2c1c(C)cn2C1CC1
InChIInChI=1S/C13H15NO/c1-9-8-14(10-6-7-10)11-4-3-5-12(15-2)13(9)11/h3-5,8,10H,6-7H2,1-2H3
InChIKeyNKMCZOPPDWIEKV-UHFFFAOYSA-N
XLogP3.29
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-cyclopropyl-4-methoxyindole
CID 115049434
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
CID 115037881
1-cyclopropyl-3-methylindole;ethane
CID 145207186
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 156852005
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
CID 107360355
5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115038305
(4-bromo-1-cyclopropylindol-3-yl)methanamine
CID 115049318
2-cyclopentyl-4,5-dimethylisoquinolin-1-one
CID 115044364
3-butan-2-yl-4-chloro-1-cyclopropylindole
CID 123992732
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methoxy-3-methylindole?
The IUPAC name of 1-cyclopropyl-4-methoxy-3-methylindole (CID 91447523) is 1-cyclopropyl-4-methoxy-3-methylindole.
What is the SMILES notation for 1-cyclopropyl-4-methoxy-3-methylindole?
The canonical SMILES for 1-cyclopropyl-4-methoxy-3-methylindole is COc1cccc2c1c(C)cn2C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methoxy-3-methylindole?
The InChIKey is NKMCZOPPDWIEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-8-14(10-6-7-10)11-4-3-5-12(15-2)13(9)11/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-methoxy-3-methylindole?
1-cyclopropyl-4-methoxy-3-methylindole has a molecular weight of 201.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methoxy-3-methylindole is sourced from PubChem (CID 91447523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).