tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate

C14H19NO3 — CID 134966311

IUPACtert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-11-8-9-17-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyNZJGDXJKVZEWOP-LLVKDONJSA-N
MW249.31 g/mol
LogP3.03
Rot. Bonds1

About tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate

tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate (PubChem CID 134966311) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate
PubChem CID134966311
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-11-8-9-17-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyNZJGDXJKVZEWOP-LLVKDONJSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate (CID 134966311) is tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate?
The InChIKey is NZJGDXJKVZEWOP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-11-8-9-17-12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate?
tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamate is sourced from PubChem (CID 134966311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).