azane;1-cyanopropan-2-yl cyclopropanecarboxylate

C8H14N2O2 — CID 174380982

IUPACazane;1-cyanopropan-2-yl cyclopropanecarboxylate
SMILESCC(CC#N)OC(=O)C1CC1.N
InChIInChI=1S/C8H11NO2.H3N/c1-6(4-5-9)11-8(10)7-2-3-7;/h6-7H,2-4H2,1H3;1H3
InChIKeyQZNOUWDSUDOWJQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.40
Rot. Bonds3

About azane;1-cyanopropan-2-yl cyclopropanecarboxylate

azane;1-cyanopropan-2-yl cyclopropanecarboxylate (PubChem CID 174380982) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is azane;1-cyanopropan-2-yl cyclopropanecarboxylate.

Molecular Properties

Compound Nameazane;1-cyanopropan-2-yl cyclopropanecarboxylate
PubChem CID174380982
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameazane;1-cyanopropan-2-yl cyclopropanecarboxylate
SMILESCC(CC#N)OC(=O)C1CC1.N
InChIInChI=1S/C8H11NO2.H3N/c1-6(4-5-9)11-8(10)7-2-3-7;/h6-7H,2-4H2,1H3;1H3
InChIKeyQZNOUWDSUDOWJQ-UHFFFAOYSA-N
XLogP1.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;1-cyanopropan-2-yl cyclopropanecarboxylate?
The IUPAC name of azane;1-cyanopropan-2-yl cyclopropanecarboxylate (CID 174380982) is azane;1-cyanopropan-2-yl cyclopropanecarboxylate.
What is the SMILES notation for azane;1-cyanopropan-2-yl cyclopropanecarboxylate?
The canonical SMILES for azane;1-cyanopropan-2-yl cyclopropanecarboxylate is CC(CC#N)OC(=O)C1CC1.N.
What is the InChIKey of azane;1-cyanopropan-2-yl cyclopropanecarboxylate?
The InChIKey is QZNOUWDSUDOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.H3N/c1-6(4-5-9)11-8(10)7-2-3-7;/h6-7H,2-4H2,1H3;1H3.
What are the key properties of azane;1-cyanopropan-2-yl cyclopropanecarboxylate?
azane;1-cyanopropan-2-yl cyclopropanecarboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-cyanopropan-2-yl cyclopropanecarboxylate is sourced from PubChem (CID 174380982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).