ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate

C22H21NO3 — CID 67409346

IUPACethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate
SMILESCCOC(=O)C=C1CCc2cc3ccc(OCc4ccccc4)cc3n21
InChIInChI=1S/C22H21NO3/c1-2-25-22(24)13-19-10-9-18-12-17-8-11-20(14-21(17)23(18)19)26-15-16-6-4-3-5-7-16/h3-8,11-14H,2,9-10,15H2,1H3
InChIKeyWBVOHPLGXZGJTQ-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.57
Rot. Bonds5

About ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate

ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate (PubChem CID 67409346) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate
PubChem CID67409346
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Nameethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate
SMILESCCOC(=O)C=C1CCc2cc3ccc(OCc4ccccc4)cc3n21
InChIInChI=1S/C22H21NO3/c1-2-25-22(24)13-19-10-9-18-12-17-8-11-20(14-21(17)23(18)19)26-15-16-6-4-3-5-7-16/h3-8,11-14H,2,9-10,15H2,1H3
InChIKeyWBVOHPLGXZGJTQ-UHFFFAOYSA-N
XLogP4.57
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.57
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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Related Compounds

ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
CID 66853707
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
ethyl (E)-3-[1,3-dimethyl-5-(6-phenylmethoxyindol-1-yl)pyrazol-4-yl]prop-2-enoate
CID 66860637
ethyl 3-[2,5-bis(phenylmethoxy)phenyl]but-2-enoate
CID 54056047
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl (2E)-2-[(3aS,6aR)-5-(2-bromo-5-phenylmethoxyphenyl)-2,2-dimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-ylidene]acetate
CID 139231262
ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
CID 66821164
ethyl (2E)-2-(7-phenylmethoxy-2,3-dihydrochromen-4-ylidene)acetate;oxolane;7-phenylmethoxy-2,3-dihydrochromen-4-one
CID 162034346
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
ethyl (E)-3-[2-[(dimethylamino)methyl]-4-phenylmethoxyphenyl]prop-2-enoate
CID 58566589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate?
The IUPAC name of ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate (CID 67409346) is ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate.
What is the SMILES notation for ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate?
The canonical SMILES for ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate is CCOC(=O)C=C1CCc2cc3ccc(OCc4ccccc4)cc3n21.
What is the InChIKey of ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate?
The InChIKey is WBVOHPLGXZGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-2-25-22(24)13-19-10-9-18-12-17-8-11-20(14-21(17)23(18)19)26-15-16-6-4-3-5-7-16/h3-8,11-14H,2,9-10,15H2,1H3.
What are the key properties of ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate?
ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate has a molecular weight of 347.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-phenylmethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-ylidene)acetate is sourced from PubChem (CID 67409346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).