tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate

C16H24N2O2 — CID 177053667

IUPACtert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H]1Cc2cccnc2[C@@H]1C
InChIInChI=1S/C16H24N2O2/c1-6-18(15(19)20-16(3,4)5)13-10-12-8-7-9-17-14(12)11(13)2/h7-9,11,13H,6,10H2,1-5H3/t11-,13+/m1/s1
InChIKeyRROZXJBRYMWYMN-YPMHNXCESA-N
MW276.38 g/mol
LogP3.37
Rot. Bonds2

About tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate

tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate (PubChem CID 177053667) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
PubChem CID177053667
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H]1Cc2cccnc2[C@@H]1C
InChIInChI=1S/C16H24N2O2/c1-6-18(15(19)20-16(3,4)5)13-10-12-8-7-9-17-14(12)11(13)2/h7-9,11,13H,6,10H2,1-5H3/t11-,13+/m1/s1
InChIKeyRROZXJBRYMWYMN-YPMHNXCESA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate (CID 177053667) is tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate is CCN(C(=O)OC(C)(C)C)[C@H]1Cc2cccnc2[C@@H]1C.
What is the InChIKey of tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate?
The InChIKey is RROZXJBRYMWYMN-YPMHNXCESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-18(15(19)20-16(3,4)5)13-10-12-8-7-9-17-14(12)11(13)2/h7-9,11,13H,6,10H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate?
tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate is sourced from PubChem (CID 177053667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).