2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole

C17H17NO3 — CID 19808713

IUPAC2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole
SMILESC=C(c1ccco1)c1cc2cc(OC)ccc2n1COC
InChIInChI=1S/C17H17NO3/c1-12(17-5-4-8-21-17)16-10-13-9-14(20-3)6-7-15(13)18(16)11-19-2/h4-10H,1,11H2,2-3H3
InChIKeySKWLNFFRTSTWNH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.91
Rot. Bonds5

About 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole

2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole (PubChem CID 19808713) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole
PubChem CID19808713
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole
SMILESC=C(c1ccco1)c1cc2cc(OC)ccc2n1COC
InChIInChI=1S/C17H17NO3/c1-12(17-5-4-8-21-17)16-10-13-9-14(20-3)6-7-15(13)18(16)11-19-2/h4-10H,1,11H2,2-3H3
InChIKeySKWLNFFRTSTWNH-UHFFFAOYSA-N
XLogP3.91
TPSA36.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole?
The IUPAC name of 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole (CID 19808713) is 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole.
What is the SMILES notation for 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole?
The canonical SMILES for 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole is C=C(c1ccco1)c1cc2cc(OC)ccc2n1COC.
What is the InChIKey of 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole?
The InChIKey is SKWLNFFRTSTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(17-5-4-8-21-17)16-10-13-9-14(20-3)6-7-15(13)18(16)11-19-2/h4-10H,1,11H2,2-3H3.
What are the key properties of 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole?
2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole has a molecular weight of 283.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethenyl]-5-methoxy-1-(methoxymethyl)indole is sourced from PubChem (CID 19808713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).