1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione

C15H21NO4 — CID 2969324

IUPAC1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione
SMILESCC12CCC(C(=O)N3CCOCC3)(C(=O)C1=O)C2(C)C
InChIInChI=1S/C15H21NO4/c1-13(2)14(3)4-5-15(13,11(18)10(14)17)12(19)16-6-8-20-9-7-16/h4-9H2,1-3H3
InChIKeyWZHBLJSDQPNGIH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds1

About 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione

1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione (PubChem CID 2969324) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione
PubChem CID2969324
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione
SMILESCC12CCC(C(=O)N3CCOCC3)(C(=O)C1=O)C2(C)C
InChIInChI=1S/C15H21NO4/c1-13(2)14(3)4-5-15(13,11(18)10(14)17)12(19)16-6-8-20-9-7-16/h4-9H2,1-3H3
InChIKeyWZHBLJSDQPNGIH-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione?
The IUPAC name of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione (CID 2969324) is 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione.
What is the SMILES notation for 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione?
The canonical SMILES for 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione is CC12CCC(C(=O)N3CCOCC3)(C(=O)C1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione?
The InChIKey is WZHBLJSDQPNGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-13(2)14(3)4-5-15(13,11(18)10(14)17)12(19)16-6-8-20-9-7-16/h4-9H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione?
1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione has a molecular weight of 279.34 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptane-2,3-dione is sourced from PubChem (CID 2969324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).