tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate

C24H27NO3 — CID 67250146

IUPACtert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate
SMILESCC(C)(C)OC(=O)CC1CCc2cc3ccc(OCc4ccccc4)cc3n21
InChIInChI=1S/C24H27NO3/c1-24(2,3)28-23(26)14-20-11-10-19-13-18-9-12-21(15-22(18)25(19)20)27-16-17-7-5-4-6-8-17/h4-9,12-13,15,20H,10-11,14,16H2,1-3H3
InChIKeyZHMOGELCCZOCFY-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.44
Rot. Bonds5

About tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate

tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (PubChem CID 67250146) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate
PubChem CID67250146
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Nametert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate
SMILESCC(C)(C)OC(=O)CC1CCc2cc3ccc(OCc4ccccc4)cc3n21
InChIInChI=1S/C24H27NO3/c1-24(2,3)28-23(26)14-20-11-10-19-13-18-9-12-21(15-22(18)25(19)20)27-16-17-7-5-4-6-8-17/h4-9,12-13,15,20H,10-11,14,16H2,1-3H3
InChIKeyZHMOGELCCZOCFY-UHFFFAOYSA-N
XLogP5.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate with MolForge

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Related Compounds

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5-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-6-yloxy)-pentanoic acid
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CID 58694216
ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethyl-1H-indole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (CID 67250146) is tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate is CC(C)(C)OC(=O)CC1CCc2cc3ccc(OCc4ccccc4)cc3n21.
What is the InChIKey of tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate?
The InChIKey is ZHMOGELCCZOCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(2,3)28-23(26)14-20-11-10-19-13-18-9-12-21(15-22(18)25(19)20)27-16-17-7-5-4-6-8-17/h4-9,12-13,15,20H,10-11,14,16H2,1-3H3.
What are the key properties of tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate?
tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate has a molecular weight of 377.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate is sourced from PubChem (CID 67250146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).