8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H21N3O4 — CID 51094032

IUPAC8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)N1
InChIInChI=1S/C18H21N3O4/c22-14-10-12-4-2-1-3-11(12)9-13(14)15(23)21-7-5-18(6-8-21)16(24)19-17(25)20-18/h9-10,22H,1-8H2,(H2,19,20,24,25)
InChIKeyPZHHQQUNQNNYCI-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.09
Rot. Bonds1

About 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 51094032) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID51094032
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)N1
InChIInChI=1S/C18H21N3O4/c22-14-10-12-4-2-1-3-11(12)9-13(14)15(23)21-7-5-18(6-8-21)16(24)19-17(25)20-18/h9-10,22H,1-8H2,(H2,19,20,24,25)
InChIKeyPZHHQQUNQNNYCI-UHFFFAOYSA-N
XLogP1.09
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
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 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 51094032) is 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3cc4c(cc3O)CCCC4)CC2)N1.
What is the InChIKey of 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PZHHQQUNQNNYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-14-10-12-4-2-1-3-11(12)9-13(14)15(23)21-7-5-18(6-8-21)16(24)19-17(25)20-18/h9-10,22H,1-8H2,(H2,19,20,24,25).
What are the key properties of 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 343.38 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51094032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).