3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H17N3O4 — CID 3561014

IUPAC3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(O)c(O)c1
InChIInChI=1S/C15H17N3O4/c19-11-5-4-10(8-12(11)20)9-16-18-13(21)15(17-14(18)22)6-2-1-3-7-15/h4-5,8-9,19-20H,1-3,6-7H2,(H,17,22)
InChIKeyDVBRLADUZQKHPP-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.69
Rot. Bonds2

About 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 3561014) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID3561014
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(O)c(O)c1
InChIInChI=1S/C15H17N3O4/c19-11-5-4-10(8-12(11)20)9-16-18-13(21)15(17-14(18)22)6-2-1-3-7-15/h4-5,8-9,19-20H,1-3,6-7H2,(H,17,22)
InChIKeyDVBRLADUZQKHPP-UHFFFAOYSA-N
XLogP1.69
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 3561014) is 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(O)c(O)c1.
What is the InChIKey of 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DVBRLADUZQKHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-11-5-4-10(8-12(11)20)9-16-18-13(21)15(17-14(18)22)6-2-1-3-7-15/h4-5,8-9,19-20H,1-3,6-7H2,(H,17,22).
What are the key properties of 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 3561014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).