(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone

C19H15NO — CID 114939814

IUPAC(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESNc1ccccc1C(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H15NO/c20-17-7-2-1-5-16(17)19(21)15-11-10-13-9-8-12-4-3-6-14(15)18(12)13/h1-7,10-11H,8-9,20H2
InChIKeyYXXNYCBAUDNRIS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.75
Rot. Bonds2

About (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone

(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone (PubChem CID 114939814) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
PubChem CID114939814
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESNc1ccccc1C(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H15NO/c20-17-7-2-1-5-16(17)19(21)15-11-10-13-9-8-12-4-3-6-14(15)18(12)13/h1-7,10-11H,8-9,20H2
InChIKeyYXXNYCBAUDNRIS-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone?
The IUPAC name of (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone (CID 114939814) is (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone is Nc1ccccc1C(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone?
The InChIKey is YXXNYCBAUDNRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c20-17-7-2-1-5-16(17)19(21)15-11-10-13-9-8-12-4-3-6-14(15)18(12)13/h1-7,10-11H,8-9,20H2.
What are the key properties of (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone?
(2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone is sourced from PubChem (CID 114939814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).