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

C18H24N2O2 — CID 11392423

IUPACtert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c2c(c3ccccc31)CCC2
InChIInChI=1S/C18H24N2O2/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/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyBGOACRNOGQDKCA-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.65
Rot. Bonds3

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

tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate (PubChem CID 11392423) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
PubChem CID11392423
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nametert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1c2c(c3ccccc31)CCC2
InChIInChI=1S/C18H24N2O2/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/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyBGOACRNOGQDKCA-UHFFFAOYSA-N
XLogP3.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[2-[3-[(E)-2-nitroethenyl]indol-1-yl]ethyl]carbamate
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tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
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tert-butyl 9-(methoxymethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
CID 10958059
tert-butyl N-[2-[(1,3-dimethylindol-2-yl)methylamino]ethyl]carbamate
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9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate (CID 11392423) is tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1c2c(c3ccccc31)CCC2.
What is the InChIKey of tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
The InChIKey is BGOACRNOGQDKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/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/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 3.65, 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-dihydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate is sourced from PubChem (CID 11392423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).