4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile

C13H20N2O2 — CID 78945630

IUPAC4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCC2CCCC2)CCO1
InChIInChI=1S/C13H20N2O2/c14-9-12-10-15(7-8-17-12)13(16)6-5-11-3-1-2-4-11/h11-12H,1-8,10H2
InChIKeySMMJUHUPTONOOA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds3

About 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile

4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile (PubChem CID 78945630) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
PubChem CID78945630
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCC2CCCC2)CCO1
InChIInChI=1S/C13H20N2O2/c14-9-12-10-15(7-8-17-12)13(16)6-5-11-3-1-2-4-11/h11-12H,1-8,10H2
InChIKeySMMJUHUPTONOOA-UHFFFAOYSA-N
XLogP1.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile (CID 78945630) is 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)CCC2CCCC2)CCO1.
What is the InChIKey of 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile?
The InChIKey is SMMJUHUPTONOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-12-10-15(7-8-17-12)13(16)6-5-11-3-1-2-4-11/h11-12H,1-8,10H2.
What are the key properties of 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile?
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).