(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one

C23H23NO2 — CID 16682401

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
SMILESCN(C)c1ccc(/C=C2/C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1
InChIInChI=1S/C23H23NO2/c1-24(2)21-11-7-16(8-12-21)13-20-15-22(26-23(20)25)19-10-9-17-5-3-4-6-18(17)14-19/h7-15H,3-6H2,1-2H3/b20-13-
InChIKeyDNQCQDKYXIGPBU-MOSHPQCFSA-N
MW345.44 g/mol
LogP4.61
Rot. Bonds3

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one (PubChem CID 16682401) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
PubChem CID16682401
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
SMILESCN(C)c1ccc(/C=C2/C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1
InChIInChI=1S/C23H23NO2/c1-24(2)21-11-7-16(8-12-21)13-20-15-22(26-23(20)25)19-10-9-17-5-3-4-6-18(17)14-19/h7-15H,3-6H2,1-2H3/b20-13-
InChIKeyDNQCQDKYXIGPBU-MOSHPQCFSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one (CID 16682401) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one is CN(C)c1ccc(/C=C2/C=C(c3ccc4c(c3)CCCC4)OC2=O)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one?
The InChIKey is DNQCQDKYXIGPBU-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H23NO2/c1-24(2)21-11-7-16(8-12-21)13-20-15-22(26-23(20)25)19-10-9-17-5-3-4-6-18(17)14-19/h7-15H,3-6H2,1-2H3/b20-13-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one has a molecular weight of 345.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one is sourced from PubChem (CID 16682401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).