(2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one

C19H17NO2 — CID 40551383

IUPAC(2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCC(=O)c1ccc(N/C=C2/CCc3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO2/c1-13(21)14-8-10-17(11-9-14)20-12-16-7-6-15-4-2-3-5-18(15)19(16)22/h2-5,8-12,20H,6-7H2,1H3/b16-12-
InChIKeyGKSGWQQPLCJEDU-VBKFSLOCSA-N
MW291.35 g/mol
LogP4.01
Rot. Bonds3

About (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one

(2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 40551383) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID40551383
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCC(=O)c1ccc(N/C=C2/CCc3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO2/c1-13(21)14-8-10-17(11-9-14)20-12-16-7-6-15-4-2-3-5-18(15)19(16)22/h2-5,8-12,20H,6-7H2,1H3/b16-12-
InChIKeyGKSGWQQPLCJEDU-VBKFSLOCSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one (CID 40551383) is (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one is CC(=O)c1ccc(N/C=C2/CCc3ccccc3C2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is GKSGWQQPLCJEDU-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(21)14-8-10-17(11-9-14)20-12-16-7-6-15-4-2-3-5-18(15)19(16)22/h2-5,8-12,20H,6-7H2,1H3/b16-12-.
What are the key properties of (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one?
(2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 291.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-acetylanilino)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 40551383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).