4-(cycloheptanecarbonyl)morpholine-2-carbonitrile

C13H20N2O2 — CID 78945818

IUPAC4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCCCCC2)CCO1
InChIInChI=1S/C13H20N2O2/c14-9-12-10-15(7-8-17-12)13(16)11-5-3-1-2-4-6-11/h11-12H,1-8,10H2
InChIKeySJKOAZBDNJVXQO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds1

About 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile

4-(cycloheptanecarbonyl)morpholine-2-carbonitrile (PubChem CID 78945818) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
PubChem CID78945818
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCCCCC2)CCO1
InChIInChI=1S/C13H20N2O2/c14-9-12-10-15(7-8-17-12)13(16)11-5-3-1-2-4-6-11/h11-12H,1-8,10H2
InChIKeySJKOAZBDNJVXQO-UHFFFAOYSA-N
XLogP1.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
CID 79674039
1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 79675793
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
CID 103761814
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
CID 174175540
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide
CID 127290864
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile (CID 78945818) is 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C2CCCCCC2)CCO1.
What is the InChIKey of 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile?
The InChIKey is SJKOAZBDNJVXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-12-10-15(7-8-17-12)13(16)11-5-3-1-2-4-6-11/h11-12H,1-8,10H2.
What are the key properties of 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile?
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptanecarbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).