ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate

C12H17N3O5 — CID 2751297

IUPACethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESCCOC(=O)NC1CC=C(C#N)OC1NC(=O)OCC
InChIInChI=1S/C12H17N3O5/c1-3-18-11(16)14-9-6-5-8(7-13)20-10(9)15-12(17)19-4-2/h5,9-10H,3-4,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJGPKNRJWEHTNPR-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.00
Rot. Bonds4

About ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate

ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 2751297) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
PubChem CID2751297
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Nameethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESCCOC(=O)NC1CC=C(C#N)OC1NC(=O)OCC
InChIInChI=1S/C12H17N3O5/c1-3-18-11(16)14-9-6-5-8(7-13)20-10(9)15-12(17)19-4-2/h5,9-10H,3-4,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJGPKNRJWEHTNPR-UHFFFAOYSA-N
XLogP1.00
TPSA109.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The IUPAC name of ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate (CID 2751297) is ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate is CCOC(=O)NC1CC=C(C#N)OC1NC(=O)OCC.
What is the InChIKey of ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The InChIKey is JGPKNRJWEHTNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-18-11(16)14-9-6-5-8(7-13)20-10(9)15-12(17)19-4-2/h5,9-10H,3-4,6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 283.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-cyano-2-(ethoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 2751297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).