4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one

C19H12Cl2N2O3 — CID 11069119

IUPAC4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one
SMILESNC1=NOC(=O)C12C=C(c1ccc(Cl)cc1)OC(c1ccc(Cl)cc1)=C2
InChIInChI=1S/C19H12Cl2N2O3/c20-13-5-1-11(2-6-13)15-9-19(17(22)23-26-18(19)24)10-16(25-15)12-3-7-14(21)8-4-12/h1-10H,(H2,22,23)
InChIKeyUGEQKKQKHKMBKI-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.22
Rot. Bonds2

About 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one

4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one (PubChem CID 11069119) has the molecular formula C19H12Cl2N2O3 and a molecular weight of 387.22 g/mol. Its IUPAC name is 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one.

Molecular Properties

Compound Name4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one
PubChem CID11069119
Molecular FormulaC19H12Cl2N2O3
Molecular Weight387.22 g/mol
Exact Mass386.02
IUPAC Name4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one
SMILESNC1=NOC(=O)C12C=C(c1ccc(Cl)cc1)OC(c1ccc(Cl)cc1)=C2
InChIInChI=1S/C19H12Cl2N2O3/c20-13-5-1-11(2-6-13)15-9-19(17(22)23-26-18(19)24)10-16(25-15)12-3-7-14(21)8-4-12/h1-10H,(H2,22,23)
InChIKeyUGEQKKQKHKMBKI-UHFFFAOYSA-N
XLogP4.22
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one?
The IUPAC name of 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one (CID 11069119) is 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one.
What is the SMILES notation for 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one?
The canonical SMILES for 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one is NC1=NOC(=O)C12C=C(c1ccc(Cl)cc1)OC(c1ccc(Cl)cc1)=C2.
What is the InChIKey of 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one?
The InChIKey is UGEQKKQKHKMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3/c20-13-5-1-11(2-6-13)15-9-19(17(22)23-26-18(19)24)10-16(25-15)12-3-7-14(21)8-4-12/h1-10H,(H2,22,23).
What are the key properties of 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one?
4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one has a molecular weight of 387.22 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7,9-bis(4-chlorophenyl)-2,8-dioxa-3-azaspiro[4.5]deca-3,6,9-trien-1-one is sourced from PubChem (CID 11069119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).