3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile

C19H22N2O2 — CID 124887188

IUPAC3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
SMILESC=CCC1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1
InChIInChI=1S/C19H22N2O2/c1-2-7-19(8-4-9-19)18(22)21-10-11-23-17(14-21)16-6-3-5-15(12-16)13-20/h2-3,5-6,12,17H,1,4,7-11,14H2/t17-/m0/s1
InChIKeyDVBRUJZYKVCOHN-KRWDZBQOSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds4

About 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile

3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile (PubChem CID 124887188) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
PubChem CID124887188
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile
SMILESC=CCC1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1
InChIInChI=1S/C19H22N2O2/c1-2-7-19(8-4-9-19)18(22)21-10-11-23-17(14-21)16-6-3-5-15(12-16)13-20/h2-3,5-6,12,17H,1,4,7-11,14H2/t17-/m0/s1
InChIKeyDVBRUJZYKVCOHN-KRWDZBQOSA-N
XLogP3.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile?
The IUPAC name of 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile (CID 124887188) is 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile.
What is the SMILES notation for 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile?
The canonical SMILES for 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile is C=CCC1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCC1.
What is the InChIKey of 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile?
The InChIKey is DVBRUJZYKVCOHN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-7-19(8-4-9-19)18(22)21-10-11-23-17(14-21)16-6-3-5-15(12-16)13-20/h2-3,5-6,12,17H,1,4,7-11,14H2/t17-/m0/s1.
What are the key properties of 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile?
3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile has a molecular weight of 310.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(1-prop-2-enylcyclobutanecarbonyl)morpholin-2-yl]benzonitrile is sourced from PubChem (CID 124887188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).