1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone

C16H19NO2 — CID 80643179

IUPAC1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone
SMILESCC(C)Oc1ccc2c(ccn2CC(=O)C2CC2)c1
InChIInChI=1S/C16H19NO2/c1-11(2)19-14-5-6-15-13(9-14)7-8-17(15)10-16(18)12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyBLFPLZZRXAVAIK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.41
Rot. Bonds5

About 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone

1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone (PubChem CID 80643179) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone
PubChem CID80643179
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone
SMILESCC(C)Oc1ccc2c(ccn2CC(=O)C2CC2)c1
InChIInChI=1S/C16H19NO2/c1-11(2)19-14-5-6-15-13(9-14)7-8-17(15)10-16(18)12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyBLFPLZZRXAVAIK-UHFFFAOYSA-N
XLogP3.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
CID 104751578
3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
CID 80643678
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
N-(2-methylpropyl)-2-(5-propan-2-yloxyindol-1-yl)acetamide
CID 116625821
5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone (CID 80643179) is 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone is CC(C)Oc1ccc2c(ccn2CC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone?
The InChIKey is BLFPLZZRXAVAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)19-14-5-6-15-13(9-14)7-8-17(15)10-16(18)12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone?
1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone has a molecular weight of 257.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone is sourced from PubChem (CID 80643179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).