1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione

C21H30N2O4 — CID 10785626

IUPAC1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione
SMILESO=C1C2CCCC2(N2CCOCC2)C12C(=O)C1(N3CCOCC3)CCCC12
InChIInChI=1S/C21H30N2O4/c24-17-15-3-1-6-20(15,23-9-13-27-14-10-23)21(17)16-4-2-5-19(16,18(21)25)22-7-11-26-12-8-22/h15-16H,1-14H2
InChIKeyCHDDZISFZDXYQX-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.88
Rot. Bonds2

About 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione

1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione (PubChem CID 10785626) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione.

Molecular Properties

Compound Name1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione
PubChem CID10785626
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione
SMILESO=C1C2CCCC2(N2CCOCC2)C12C(=O)C1(N3CCOCC3)CCCC12
InChIInChI=1S/C21H30N2O4/c24-17-15-3-1-6-20(15,23-9-13-27-14-10-23)21(17)16-4-2-5-19(16,18(21)25)22-7-11-26-12-8-22/h15-16H,1-14H2
InChIKeyCHDDZISFZDXYQX-UHFFFAOYSA-N
XLogP0.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
CID 23848485
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
(1S,3S,6S,7R)-1,6-dimethyl-3-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonan-2-one
CID 98135413
(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
CID 871995
(1S,3R,3aR,6aS)-3a-morpholin-4-yl-1,3-diphenyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-carbonitrile
CID 40823073
(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 101139038
2-cycloheptyl-1-methyl-2-morpholin-4-ylcyclohexane-1-carboxamide
CID 67406906
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
methyl (3aR,8aS)-8a-morpholin-4-yl-3a,4,5,6,7,8-hexahydrocyclohepta[d][1,2]oxazole-3-carboxylate
CID 97300441
1-(2-morpholin-4-ylethyl)-4-sulfanylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-2-one
CID 167998399
3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 64624261

Frequently Asked Questions

What is the IUPAC name of 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione?
The IUPAC name of 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione (CID 10785626) is 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione.
What is the SMILES notation for 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione?
The canonical SMILES for 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione is O=C1C2CCCC2(N2CCOCC2)C12C(=O)C1(N3CCOCC3)CCCC12.
What is the InChIKey of 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione?
The InChIKey is CHDDZISFZDXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-17-15-3-1-6-20(15,23-9-13-27-14-10-23)21(17)16-4-2-5-19(16,18(21)25)22-7-11-26-12-8-22/h15-16H,1-14H2.
What are the key properties of 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione?
1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione has a molecular weight of 374.48 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione is sourced from PubChem (CID 10785626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).