4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile

C14H18N2O2 — CID 103761814

IUPAC4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2C3C4CCC(C4)C23)CCO1
InChIInChI=1S/C14H18N2O2/c15-6-10-7-16(3-4-18-10)14(17)13-11-8-1-2-9(5-8)12(11)13/h8-13H,1-5,7H2
InChIKeyOAMFUGBVYMUABI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.03
Rot. Bonds1

About 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile

4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 103761814) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
PubChem CID103761814
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2C3C4CCC(C4)C23)CCO1
InChIInChI=1S/C14H18N2O2/c15-6-10-7-16(3-4-18-10)14(17)13-11-8-1-2-9(5-8)12(11)13/h8-13H,1-5,7H2
InChIKeyOAMFUGBVYMUABI-UHFFFAOYSA-N
XLogP1.03
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile (CID 103761814) is 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C2C3C4CCC(C4)C23)CCO1.
What is the InChIKey of 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is OAMFUGBVYMUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-6-10-7-16(3-4-18-10)14(17)13-11-8-1-2-9(5-8)12(11)13/h8-13H,1-5,7H2.
What are the key properties of 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile?
4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 103761814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).