1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone

C16H18ClNO2 — CID 103474467

IUPAC1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2c[nH]c3c(Cl)cccc23)C1
InChIInChI=1S/C16H18ClNO2/c1-2-20-11-6-10(7-11)8-15(19)13-9-18-16-12(13)4-3-5-14(16)17/h3-5,9-11,18H,2,6-8H2,1H3
InChIKeyVFOQIPBCYHNULQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.21
Rot. Bonds5

About 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103474467) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103474467
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)c2c[nH]c3c(Cl)cccc23)C1
InChIInChI=1S/C16H18ClNO2/c1-2-20-11-6-10(7-11)8-15(19)13-9-18-16-12(13)4-3-5-14(16)17/h3-5,9-11,18H,2,6-8H2,1H3
InChIKeyVFOQIPBCYHNULQ-UHFFFAOYSA-N
XLogP4.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103474467) is 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)c2c[nH]c3c(Cl)cccc23)C1.
What is the InChIKey of 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is VFOQIPBCYHNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-2-20-11-6-10(7-11)8-15(19)13-9-18-16-12(13)4-3-5-14(16)17/h3-5,9-11,18H,2,6-8H2,1H3.
What are the key properties of 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 291.78 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103474467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).