4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione

C16H18N2O3 — CID 102894880

IUPAC4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
SMILESCOc1cccc(N2C(=O)C3C4CCCC4CN3C2=O)c1
InChIInChI=1S/C16H18N2O3/c1-21-12-6-3-5-11(8-12)18-15(19)14-13-7-2-4-10(13)9-17(14)16(18)20/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3
InChIKeyVWJMZPFYMGQPSX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds2

About 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione

4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione (PubChem CID 102894880) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
PubChem CID102894880
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
SMILESCOc1cccc(N2C(=O)C3C4CCCC4CN3C2=O)c1
InChIInChI=1S/C16H18N2O3/c1-21-12-6-3-5-11(8-12)18-15(19)14-13-7-2-4-10(13)9-17(14)16(18)20/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3
InChIKeyVWJMZPFYMGQPSX-UHFFFAOYSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dioxo-4,6-diazatricyclo[6.3.0.02,6]undecan-4-yl)benzonitrile
CID 102894878
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61369779
(8aR)-2-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 9419674
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100810508
(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 163121674
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
6-ethyl-13-(3-methoxyphenyl)-10-(2-phenylethyl)-11,13-diazatetracyclo[7.7.0.02,7.011,15]hexadecane-12,14-dione
CID 155383972
(3aS,4R,7aS)-4-(3-methoxyphenyl)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154523461
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
2-hydroxy-1-(3-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67692830
(8aS)-7-(3-fluorobenzoyl)-2-(3-methoxyphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 163161577
2-[2-[(8aR)-2-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-2-oxoethyl]sulfanylacetic acid
CID 9419788

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The IUPAC name of 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione (CID 102894880) is 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione.
What is the SMILES notation for 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The canonical SMILES for 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione is COc1cccc(N2C(=O)C3C4CCCC4CN3C2=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The InChIKey is VWJMZPFYMGQPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-12-6-3-5-11(8-12)18-15(19)14-13-7-2-4-10(13)9-17(14)16(18)20/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione?
4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione has a molecular weight of 286.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione is sourced from PubChem (CID 102894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).