3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one

C14H21NO3 — CID 2920342

IUPAC3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C(=O)C2(C(=O)N3CCOCC3)CCC1C2
InChIInChI=1S/C14H21NO3/c1-13(2)10-3-4-14(9-10,11(13)16)12(17)15-5-7-18-8-6-15/h10H,3-9H2,1-2H3
InChIKeyFHFSQSQMZAGBOP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds1

About 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one

3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2920342) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2920342
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C(=O)C2(C(=O)N3CCOCC3)CCC1C2
InChIInChI=1S/C14H21NO3/c1-13(2)10-3-4-14(9-10,11(13)16)12(17)15-5-7-18-8-6-15/h10H,3-9H2,1-2H3
InChIKeyFHFSQSQMZAGBOP-UHFFFAOYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2920342) is 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one is CC1(C)C(=O)C2(C(=O)N3CCOCC3)CCC1C2.
What is the InChIKey of 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is FHFSQSQMZAGBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(2)10-3-4-14(9-10,11(13)16)12(17)15-5-7-18-8-6-15/h10H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2920342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).