tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate

C18H26N2O2 — CID 11185734

IUPACtert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1c2ccccc2C2CCCC21
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-11-12-20-15-9-5-4-7-13(15)14-8-6-10-16(14)20/h4-5,7,9,14,16H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyQEIULLBOUPKLRJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.67
Rot. Bonds3

About tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate

tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate (PubChem CID 11185734) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
PubChem CID11185734
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1c2ccccc2C2CCCC21
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-11-12-20-15-9-5-4-7-13(15)14-8-6-10-16(14)20/h4-5,7,9,14,16H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyQEIULLBOUPKLRJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate (CID 11185734) is tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1c2ccccc2C2CCCC21.
What is the InChIKey of tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
The InChIKey is QEIULLBOUPKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)19-11-12-20-15-9-5-4-7-13(15)14-8-6-10-16(14)20/h4-5,7,9,14,16H,6,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate is sourced from PubChem (CID 11185734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).