(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

C12H13NO2 — CID 116548854

IUPAC(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNc1ccc(C(=O)C2=COCCC2)cc1
InChIInChI=1S/C12H13NO2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h3-6,8H,1-2,7,13H2
InChIKeyRLFDHFABTPRJJZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.15
Rot. Bonds2

About (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 116548854) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID116548854
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNc1ccc(C(=O)C2=COCCC2)cc1
InChIInChI=1S/C12H13NO2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h3-6,8H,1-2,7,13H2
InChIKeyRLFDHFABTPRJJZ-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 116548854) is (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is Nc1ccc(C(=O)C2=COCCC2)cc1.
What is the InChIKey of (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is RLFDHFABTPRJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h3-6,8H,1-2,7,13H2.
What are the key properties of (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 203.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 116548854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).