ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile

C13H20N2O — CID 162741092

IUPACethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile
SMILESC=C.C=C(/C=C\C)CN1CCOC(C#N)C1
InChIInChI=1S/C11H16N2O.C2H4/c1-3-4-10(2)8-13-5-6-14-11(7-12)9-13;1-2/h3-4,11H,2,5-6,8-9H2,1H3;1-2H2/b4-3-;
InChIKeyXZWOXQAYGVZLTL-LNKPDPKZSA-N
MW220.32 g/mol
LogP2.15
Rot. Bonds3

About ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile

ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile (PubChem CID 162741092) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Nameethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile
PubChem CID162741092
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nameethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile
SMILESC=C.C=C(/C=C\C)CN1CCOC(C#N)C1
InChIInChI=1S/C11H16N2O.C2H4/c1-3-4-10(2)8-13-5-6-14-11(7-12)9-13;1-2/h3-4,11H,2,5-6,8-9H2,1H3;1-2H2/b4-3-;
InChIKeyXZWOXQAYGVZLTL-LNKPDPKZSA-N
XLogP2.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
The IUPAC name of ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile (CID 162741092) is ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile.
What is the SMILES notation for ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
The canonical SMILES for ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile is C=C.C=C(/C=C\C)CN1CCOC(C#N)C1.
What is the InChIKey of ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
The InChIKey is XZWOXQAYGVZLTL-LNKPDPKZSA-N. The full InChI is InChI=1S/C11H16N2O.C2H4/c1-3-4-10(2)8-13-5-6-14-11(7-12)9-13;1-2/h3-4,11H,2,5-6,8-9H2,1H3;1-2H2/b4-3-;.
What are the key properties of ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile is sourced from PubChem (CID 162741092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).