[(1R)-1-cyanopropyl] ethyl carbonate

C7H11NO3 — CID 101208152

IUPAC[(1R)-1-cyanopropyl] ethyl carbonate
SMILESCCOC(=O)O[C@@H](C#N)CC
InChIInChI=1S/C7H11NO3/c1-3-6(5-8)11-7(9)10-4-2/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyXZLPBXXUWCAKTN-ZCFIWIBFSA-N
MW157.17 g/mol
LogP1.46
Rot. Bonds3

About [(1R)-1-cyanopropyl] ethyl carbonate

[(1R)-1-cyanopropyl] ethyl carbonate (PubChem CID 101208152) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(1R)-1-cyanopropyl] ethyl carbonate.

Molecular Properties

Compound Name[(1R)-1-cyanopropyl] ethyl carbonate
PubChem CID101208152
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(1R)-1-cyanopropyl] ethyl carbonate
SMILESCCOC(=O)O[C@@H](C#N)CC
InChIInChI=1S/C7H11NO3/c1-3-6(5-8)11-7(9)10-4-2/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyXZLPBXXUWCAKTN-ZCFIWIBFSA-N
XLogP1.46
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanopropyl] ethyl carbonate?
The IUPAC name of [(1R)-1-cyanopropyl] ethyl carbonate (CID 101208152) is [(1R)-1-cyanopropyl] ethyl carbonate.
What is the SMILES notation for [(1R)-1-cyanopropyl] ethyl carbonate?
The canonical SMILES for [(1R)-1-cyanopropyl] ethyl carbonate is CCOC(=O)O[C@@H](C#N)CC.
What is the InChIKey of [(1R)-1-cyanopropyl] ethyl carbonate?
The InChIKey is XZLPBXXUWCAKTN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(5-8)11-7(9)10-4-2/h6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of [(1R)-1-cyanopropyl] ethyl carbonate?
[(1R)-1-cyanopropyl] ethyl carbonate has a molecular weight of 157.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanopropyl] ethyl carbonate is sourced from PubChem (CID 101208152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).