(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H13NO2 — CID 102648271

IUPAC(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNc1ccc(C(=O)C2=CCCCO2)cc1
InChIInChI=1S/C12H13NO2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h3-7H,1-2,8,13H2
InChIKeyVGFSQHXGBVQLAM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.15
Rot. Bonds2

About (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648271) 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-6-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648271
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNc1ccc(C(=O)C2=CCCCO2)cc1
InChIInChI=1S/C12H13NO2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h3-7H,1-2,8,13H2
InChIKeyVGFSQHXGBVQLAM-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'}

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Related Compounds

2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499
(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648656
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842
[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
CID 102652392
3-(4-aminophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648498
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116548854
3,4-dihydro-2H-pyran-6-yl-(6-methylpyridazin-3-yl)methanone
CID 130956966

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648271) is (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is Nc1ccc(C(=O)C2=CCCCO2)cc1.
What is the InChIKey of (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is VGFSQHXGBVQLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h3-7H,1-2,8,13H2.
What are the key properties of (4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-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-6-yl)methanone is sourced from PubChem (CID 102648271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).