(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone

C19H22N2O3 — CID 71789520

IUPAC(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)c1ccc(-n3cccc3)cc1)C2
InChIInChI=1S/C19H22N2O3/c1-18(2)23-13-19(14-24-18)11-21(12-19)17(22)15-5-7-16(8-6-15)20-9-3-4-10-20/h3-10H,11-14H2,1-2H3
InChIKeyZHDUCOOPZSLGAJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds2

About (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 71789520) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID71789520
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)c1ccc(-n3cccc3)cc1)C2
InChIInChI=1S/C19H22N2O3/c1-18(2)23-13-19(14-24-18)11-21(12-19)17(22)15-5-7-16(8-6-15)20-9-3-4-10-20/h3-10H,11-14H2,1-2H3
InChIKeyZHDUCOOPZSLGAJ-UHFFFAOYSA-N
XLogP2.70
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone with MolForge

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Related Compounds

(4-tert-butylphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 71789560
[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 90537444
methyl 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)benzoate
CID 71789547
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[3,5-bis(trifluoromethyl)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 90537381
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 90537438
[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
CID 170975673
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 71789520) is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone is CC1(C)OCC2(CO1)CN(C(=O)c1ccc(-n3cccc3)cc1)C2.
What is the InChIKey of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is ZHDUCOOPZSLGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-18(2)23-13-19(14-24-18)11-21(12-19)17(22)15-5-7-16(8-6-15)20-9-3-4-10-20/h3-10H,11-14H2,1-2H3.
What are the key properties of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone?
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 71789520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).