2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole

C16H15NO — CID 102039910

IUPAC2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole
SMILESCOc1ccc2c(c1)cc(C=C1C=CC=C1)n2C
InChIInChI=1S/C16H15NO/c1-17-14(9-12-5-3-4-6-12)10-13-11-15(18-2)7-8-16(13)17/h3-11H,1-2H3
InChIKeyVORKURFIPFKMDP-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.70
Rot. Bonds2

About 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole

2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole (PubChem CID 102039910) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole.

Molecular Properties

Compound Name2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole
PubChem CID102039910
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole
SMILESCOc1ccc2c(c1)cc(C=C1C=CC=C1)n2C
InChIInChI=1S/C16H15NO/c1-17-14(9-12-5-3-4-6-12)10-13-11-15(18-2)7-8-16(13)17/h3-11H,1-2H3
InChIKeyVORKURFIPFKMDP-UHFFFAOYSA-N
XLogP3.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole?
The IUPAC name of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole (CID 102039910) is 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole.
What is the SMILES notation for 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole?
The canonical SMILES for 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole is COc1ccc2c(c1)cc(C=C1C=CC=C1)n2C.
What is the InChIKey of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole?
The InChIKey is VORKURFIPFKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-14(9-12-5-3-4-6-12)10-13-11-15(18-2)7-8-16(13)17/h3-11H,1-2H3.
What are the key properties of 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole?
2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole has a molecular weight of 237.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methoxy-1-methylindole is sourced from PubChem (CID 102039910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).