1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H21N3O3 — CID 146198306

IUPAC1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2)N1C(=O)C1CCCc2ccccc21
InChIInChI=1S/C18H21N3O3/c22-15(14-7-3-5-12-4-1-2-6-13(12)14)21-17(24)20-16(23)18(21)8-10-19-11-9-18/h1-2,4,6,14,19H,3,5,7-11H2,(H,20,23,24)
InChIKeyDCWZBNDVNADVBG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.31
Rot. Bonds1

About 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 146198306) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID146198306
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2)N1C(=O)C1CCCc2ccccc21
InChIInChI=1S/C18H21N3O3/c22-15(14-7-3-5-12-4-1-2-6-13(12)14)21-17(24)20-16(23)18(21)8-10-19-11-9-18/h1-2,4,6,14,19H,3,5,7-11H2,(H,20,23,24)
InChIKeyDCWZBNDVNADVBG-UHFFFAOYSA-N
XLogP1.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 146198306) is 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCNCC2)N1C(=O)C1CCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DCWZBNDVNADVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-15(14-7-3-5-12-4-1-2-6-13(12)14)21-17(24)20-16(23)18(21)8-10-19-11-9-18/h1-2,4,6,14,19H,3,5,7-11H2,(H,20,23,24).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 146198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).