7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one

C20H17NO2 — CID 54127512

IUPAC7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
SMILESCc1ccccc1C=C1CCc2c1oc1ccc(N)cc1c2=O
InChIInChI=1S/C20H17NO2/c1-12-4-2-3-5-13(12)10-14-6-8-16-19(22)17-11-15(21)7-9-18(17)23-20(14)16/h2-5,7,9-11H,6,8,21H2,1H3
InChIKeyNSAFQKJEFCLLBB-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.17
Rot. Bonds1

About 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one

7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one (PubChem CID 54127512) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one.

Molecular Properties

Compound Name7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
PubChem CID54127512
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
SMILESCc1ccccc1C=C1CCc2c1oc1ccc(N)cc1c2=O
InChIInChI=1S/C20H17NO2/c1-12-4-2-3-5-13(12)10-14-6-8-16-19(22)17-11-15(21)7-9-18(17)23-20(14)16/h2-5,7,9-11H,6,8,21H2,1H3
InChIKeyNSAFQKJEFCLLBB-UHFFFAOYSA-N
XLogP4.17
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
The IUPAC name of 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one (CID 54127512) is 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one.
What is the SMILES notation for 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
The canonical SMILES for 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one is Cc1ccccc1C=C1CCc2c1oc1ccc(N)cc1c2=O.
What is the InChIKey of 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
The InChIKey is NSAFQKJEFCLLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-12-4-2-3-5-13(12)10-14-6-8-16-19(22)17-11-15(21)7-9-18(17)23-20(14)16/h2-5,7,9-11H,6,8,21H2,1H3.
What are the key properties of 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one has a molecular weight of 303.36 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one is sourced from PubChem (CID 54127512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).