tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate

C24H27NO3 — CID 67250144

IUPACtert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
SMILESCC(C)(C)OC(=O)CC1CCn2c1cc1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C24H27NO3/c1-24(2,3)28-23(26)15-18-11-12-25-21-10-9-20(13-19(21)14-22(18)25)27-16-17-7-5-4-6-8-17/h4-10,13-14,18H,11-12,15-16H2,1-3H3
InChIKeyNZCINCUYJNEEPZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.44
Rot. Bonds5

About tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate

tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate (PubChem CID 67250144) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
PubChem CID67250144
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Nametert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate
SMILESCC(C)(C)OC(=O)CC1CCn2c1cc1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C24H27NO3/c1-24(2,3)28-23(26)15-18-11-12-25-21-10-9-20(13-19(21)14-22(18)25)27-16-17-7-5-4-6-8-17/h4-10,13-14,18H,11-12,15-16H2,1-3H3
InChIKeyNZCINCUYJNEEPZ-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

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Related Compounds

CID 65645
CID 65645
CID 4172142
CID 4172142
CID 3710
CID 3710
CID 3711
CID 3711
CID 4059895
CID 4059895
CID 155922
CID 155922
CID 244154
CID 244154
CID 10810285
CID 10810285
CID 1372
CID 1372
CID 1150669
CID 1150669
CID 6433761
CID 6433761
CID 24776388
CID 24776388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The IUPAC name of tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate (CID 67250144) is tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate is CC(C)(C)OC(=O)CC1CCn2c1cc1cc(OCc3ccccc3)ccc12.
What is the InChIKey of tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
The InChIKey is NZCINCUYJNEEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(2,3)28-23(26)15-18-11-12-25-21-10-9-20(13-19(21)14-22(18)25)27-16-17-7-5-4-6-8-17/h4-10,13-14,18H,11-12,15-16H2,1-3H3.
What are the key properties of tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate?
tert-butyl 2-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-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-(6-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate is sourced from PubChem (CID 67250144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).