2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one

C16H19NO2 — CID 107360355

IUPAC2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
SMILESCOc1cccc2c1c(C(=O)C(C)C1CC1)cn2C
InChIInChI=1S/C16H19NO2/c1-10(11-7-8-11)16(18)12-9-17(2)13-5-4-6-14(19-3)15(12)13/h4-6,9-11H,7-8H2,1-3H3
InChIKeyAURKDJBNRNDWMQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one

2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one (PubChem CID 107360355) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
PubChem CID107360355
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
SMILESCOc1cccc2c1c(C(=O)C(C)C1CC1)cn2C
InChIInChI=1S/C16H19NO2/c1-10(11-7-8-11)16(18)12-9-17(2)13-5-4-6-14(19-3)15(12)13/h4-6,9-11H,7-8H2,1-3H3
InChIKeyAURKDJBNRNDWMQ-UHFFFAOYSA-N
XLogP3.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone
CID 107360312
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
CID 82278890
1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
1-(2-bromophenyl)-2-cyclopropylpropan-1-one
CID 101490237
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25266218
1-[4-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 58968235

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one (CID 107360355) is 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one is COc1cccc2c1c(C(=O)C(C)C1CC1)cn2C.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one?
The InChIKey is AURKDJBNRNDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10(11-7-8-11)16(18)12-9-17(2)13-5-4-6-14(19-3)15(12)13/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one?
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 107360355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).