5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile

C15H19ClN2O — CID 95341250

IUPAC5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
SMILESN#CCCCCN1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O/c16-14-7-3-2-6-13(14)15-12-18(10-11-19-15)9-5-1-4-8-17/h2-3,6-7,15H,1,4-5,9-12H2/t15-/m0/s1
InChIKeyKWWZDDYHSUPDHV-HNNXBMFYSA-N
MW278.78 g/mol
LogP3.41
Rot. Bonds5

About 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile

5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile (PubChem CID 95341250) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile.

Molecular Properties

Compound Name5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
PubChem CID95341250
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
SMILESN#CCCCCN1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O/c16-14-7-3-2-6-13(14)15-12-18(10-11-19-15)9-5-1-4-8-17/h2-3,6-7,15H,1,4-5,9-12H2/t15-/m0/s1
InChIKeyKWWZDDYHSUPDHV-HNNXBMFYSA-N
XLogP3.41
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
(2S)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304387
(2R)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304386
2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine
CID 136589243
4-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]butanenitrile
CID 97344593
3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 98448962
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618
1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
CID 138003930

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
The IUPAC name of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile (CID 95341250) is 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile.
What is the SMILES notation for 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
The canonical SMILES for 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile is N#CCCCCN1CCO[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
The InChIKey is KWWZDDYHSUPDHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-14-7-3-2-6-13(14)15-12-18(10-11-19-15)9-5-1-4-8-17/h2-3,6-7,15H,1,4-5,9-12H2/t15-/m0/s1.
What are the key properties of 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile?
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile has a molecular weight of 278.78 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile is sourced from PubChem (CID 95341250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).