5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one

C19H18N2O2 — CID 70276991

IUPAC5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
SMILESNc1ccc2c(c1)C(=CC1c3ccccc3CCC1O)C(=O)N2
InChIInChI=1S/C19H18N2O2/c20-12-6-7-17-14(9-12)16(19(23)21-17)10-15-13-4-2-1-3-11(13)5-8-18(15)22/h1-4,6-7,9-10,15,18,22H,5,8,20H2,(H,21,23)
InChIKeyXSULIBVCNQHOHJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.70
Rot. Bonds1

About 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one

5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one (PubChem CID 70276991) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
PubChem CID70276991
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one
SMILESNc1ccc2c(c1)C(=CC1c3ccccc3CCC1O)C(=O)N2
InChIInChI=1S/C19H18N2O2/c20-12-6-7-17-14(9-12)16(19(23)21-17)10-15-13-4-2-1-3-11(13)5-8-18(15)22/h1-4,6-7,9-10,15,18,22H,5,8,20H2,(H,21,23)
InChIKeyXSULIBVCNQHOHJ-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one (CID 70276991) is 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one is Nc1ccc2c(c1)C(=CC1c3ccccc3CCC1O)C(=O)N2.
What is the InChIKey of 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
The InChIKey is XSULIBVCNQHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-12-6-7-17-14(9-12)16(19(23)21-17)10-15-13-4-2-1-3-11(13)5-8-18(15)22/h1-4,6-7,9-10,15,18,22H,5,8,20H2,(H,21,23).
What are the key properties of 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one?
5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70276991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).