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

C11H16N2O — CID 162741093

IUPAC4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile
SMILESC=C(/C=C\C)CN1CCOC(C#N)C1
InChIInChI=1S/C11H16N2O/c1-3-4-10(2)8-13-5-6-14-11(7-12)9-13/h3-4,11H,2,5-6,8-9H2,1H3/b4-3-
InChIKeyNIMJXDNCFLDNMO-ARJAWSKDSA-N
MW192.26 g/mol
LogP1.34
Rot. Bonds3

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

4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile (PubChem CID 162741093) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile
PubChem CID162741093
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile
SMILESC=C(/C=C\C)CN1CCOC(C#N)C1
InChIInChI=1S/C11H16N2O/c1-3-4-10(2)8-13-5-6-14-11(7-12)9-13/h3-4,11H,2,5-6,8-9H2,1H3/b4-3-
InChIKeyNIMJXDNCFLDNMO-ARJAWSKDSA-N
XLogP1.34
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile (CID 162741093) is 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile is C=C(/C=C\C)CN1CCOC(C#N)C1.
What is the InChIKey of 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
The InChIKey is NIMJXDNCFLDNMO-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-10(2)8-13-5-6-14-11(7-12)9-13/h3-4,11H,2,5-6,8-9H2,1H3/b4-3-.
What are the key properties of 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile?
4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile has a molecular weight of 192.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-methylidenepent-3-enyl]morpholine-2-carbonitrile is sourced from PubChem (CID 162741093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).