(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile

C11H15NO2 — CID 11137995

IUPAC(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile
SMILESN#C/C=C1/CCC2(CCCCO2)OC1
InChIInChI=1S/C11H15NO2/c12-7-4-10-3-6-11(14-9-10)5-1-2-8-13-11/h4H,1-3,5-6,8-9H2/b10-4-
InChIKeyWOSRQLZLEMLVMV-WMZJFQQLSA-N
MW193.25 g/mol
LogP2.14
Rot. Bonds

About (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile

(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile (PubChem CID 11137995) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile
PubChem CID11137995
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile
SMILESN#C/C=C1/CCC2(CCCCO2)OC1
InChIInChI=1S/C11H15NO2/c12-7-4-10-3-6-11(14-9-10)5-1-2-8-13-11/h4H,1-3,5-6,8-9H2/b10-4-
InChIKeyWOSRQLZLEMLVMV-WMZJFQQLSA-N
XLogP2.14
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile?
The IUPAC name of (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile (CID 11137995) is (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile.
What is the SMILES notation for (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile?
The canonical SMILES for (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile is N#C/C=C1/CCC2(CCCCO2)OC1.
What is the InChIKey of (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile?
The InChIKey is WOSRQLZLEMLVMV-WMZJFQQLSA-N. The full InChI is InChI=1S/C11H15NO2/c12-7-4-10-3-6-11(14-9-10)5-1-2-8-13-11/h4H,1-3,5-6,8-9H2/b10-4-.
What are the key properties of (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile?
(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile has a molecular weight of 193.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile is sourced from PubChem (CID 11137995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).