ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate

C17H19NO3 — CID 67249397

IUPACethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate
SMILESCCOC(=O)C=C1CCn2c1cc1c(C)c(OC)ccc12
InChIInChI=1S/C17H19NO3/c1-4-21-17(19)9-12-7-8-18-14-5-6-16(20-3)11(2)13(14)10-15(12)18/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyCJXBWXJZWYFXNU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.31
Rot. Bonds3

About ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate

ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate (PubChem CID 67249397) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate
PubChem CID67249397
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate
SMILESCCOC(=O)C=C1CCn2c1cc1c(C)c(OC)ccc12
InChIInChI=1S/C17H19NO3/c1-4-21-17(19)9-12-7-8-18-14-5-6-16(20-3)11(2)13(14)10-15(12)18/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyCJXBWXJZWYFXNU-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate?
The IUPAC name of ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate (CID 67249397) is ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate.
What is the SMILES notation for ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate?
The canonical SMILES for ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate is CCOC(=O)C=C1CCn2c1cc1c(C)c(OC)ccc12.
What is the InChIKey of ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate?
The InChIKey is CJXBWXJZWYFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-21-17(19)9-12-7-8-18-14-5-6-16(20-3)11(2)13(14)10-15(12)18/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate?
ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate has a molecular weight of 285.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methoxy-5-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-ylidene)acetate is sourced from PubChem (CID 67249397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).