tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate

C16H18Cl2N2O2 — CID 170427507

IUPACtert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cc3c(Cl)c(Cl)ccc3n2C1
InChIInChI=1S/C16H18Cl2N2O2/c1-16(2,3)22-15(21)19-9-6-10-7-11-13(20(10)8-9)5-4-12(17)14(11)18/h4-5,7,9H,6,8H2,1-3H3,(H,19,21)
InChIKeyDHIDPUXMECMGFN-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.40
Rot. Bonds1

About tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate

tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate (PubChem CID 170427507) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate
PubChem CID170427507
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Nametert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2cc3c(Cl)c(Cl)ccc3n2C1
InChIInChI=1S/C16H18Cl2N2O2/c1-16(2,3)22-15(21)19-9-6-10-7-11-13(20(10)8-9)5-4-12(17)14(11)18/h4-5,7,9H,6,8H2,1-3H3,(H,19,21)
InChIKeyDHIDPUXMECMGFN-UHFFFAOYSA-N
XLogP4.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate (CID 170427507) is tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2cc3c(Cl)c(Cl)ccc3n2C1.
What is the InChIKey of tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate?
The InChIKey is DHIDPUXMECMGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-16(2,3)22-15(21)19-9-6-10-7-11-13(20(10)8-9)5-4-12(17)14(11)18/h4-5,7,9H,6,8H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate?
tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate has a molecular weight of 341.24 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate is sourced from PubChem (CID 170427507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).