1-(5-ethoxy-1-methylindol-3-yl)propan-2-one

C14H17NO2 — CID 82495412

IUPAC1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
SMILESCCOc1ccc2c(c1)c(CC(C)=O)cn2C
InChIInChI=1S/C14H17NO2/c1-4-17-12-5-6-14-13(8-12)11(7-10(2)16)9-15(14)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyNHBPCCQJERPBBL-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.71
Rot. Bonds4

About 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one

1-(5-ethoxy-1-methylindol-3-yl)propan-2-one (PubChem CID 82495412) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
PubChem CID82495412
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
SMILESCCOc1ccc2c(c1)c(CC(C)=O)cn2C
InChIInChI=1S/C14H17NO2/c1-4-17-12-5-6-14-13(8-12)11(7-10(2)16)9-15(14)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyNHBPCCQJERPBBL-UHFFFAOYSA-N
XLogP2.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one?
The IUPAC name of 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one (CID 82495412) is 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one is CCOc1ccc2c(c1)c(CC(C)=O)cn2C.
What is the InChIKey of 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one?
The InChIKey is NHBPCCQJERPBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-17-12-5-6-14-13(8-12)11(7-10(2)16)9-15(14)3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one?
1-(5-ethoxy-1-methylindol-3-yl)propan-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1-methylindol-3-yl)propan-2-one is sourced from PubChem (CID 82495412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).