1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one

C15H23NO3 — CID 2898304

IUPAC1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCOCC3)(CC1=O)C2(C)C
InChIInChI=1S/C15H23NO3/c1-13(2)14(3)4-5-15(13,10-11(14)17)12(18)16-6-8-19-9-7-16/h4-10H2,1-3H3
InChIKeyYARJLQJZBLCTDH-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.63
Rot. Bonds1

About 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2898304) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2898304
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCOCC3)(CC1=O)C2(C)C
InChIInChI=1S/C15H23NO3/c1-13(2)14(3)4-5-15(13,10-11(14)17)12(18)16-6-8-19-9-7-16/h4-10H2,1-3H3
InChIKeyYARJLQJZBLCTDH-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7,7-Trimethyl-4-[(2-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921296
3-Bromo-1,7,7-trimethyl-4-(morpholine-4-carbonyl)-bicyclo[2.2.1]heptan-2-one
CID 16682219
1,7,7-Trimethyl-4-[(3-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921570
(1R,4R)-N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 662876
N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2941016
1,7,7-Trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2897994
4,7,7-trimethyl-N-[3-(morpholin-4-yl)propyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928778
(1S,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2898016
(1S,4S)-4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2898030
3,3-Dimethyl-1-(morpholin-4-ylcarbonyl)bicyclo[2.2.1]heptan-2-one
CID 2920342
(1S,4S)-N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2978930
N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 3256727

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2898304) is 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one is CC12CCC(C(=O)N3CCOCC3)(CC1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is YARJLQJZBLCTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(2)14(3)4-5-15(13,10-11(14)17)12(18)16-6-8-19-9-7-16/h4-10H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 265.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-(morpholine-4-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2898304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).