tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate

C19H26N2O3 — CID 22282652

IUPACtert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate
SMILESCC(Cn1ccc2ccc3c(c21)CCCO3)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-13(20-18(22)24-19(2,3)4)12-21-10-9-14-7-8-16-15(17(14)21)6-5-11-23-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,22)
InChIKeyPBMSIYZDXLCRHL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.88
Rot. Bonds3

About tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate

tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate (PubChem CID 22282652) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate
PubChem CID22282652
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate
SMILESCC(Cn1ccc2ccc3c(c21)CCCO3)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-13(20-18(22)24-19(2,3)4)12-21-10-9-14-7-8-16-15(17(14)21)6-5-11-23-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,22)
InChIKeyPBMSIYZDXLCRHL-UHFFFAOYSA-N
XLogP3.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate (CID 22282652) is tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate is CC(Cn1ccc2ccc3c(c21)CCCO3)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate?
The InChIKey is PBMSIYZDXLCRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(20-18(22)24-19(2,3)4)12-21-10-9-14-7-8-16-15(17(14)21)6-5-11-23-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 22282652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).