3-amino-8-propan-2-ylchromen-2-one

C12H13NO2 — CID 59144751

IUPAC3-amino-8-propan-2-ylchromen-2-one
SMILESCC(C)c1cccc2cc(N)c(=O)oc12
InChIInChI=1S/C12H13NO2/c1-7(2)9-5-3-4-8-6-10(13)12(14)15-11(8)9/h3-7H,13H2,1-2H3
InChIKeyVYZVCOICHPIUQE-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.50
Rot. Bonds1

About 3-amino-8-propan-2-ylchromen-2-one

3-amino-8-propan-2-ylchromen-2-one (PubChem CID 59144751) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-8-propan-2-ylchromen-2-one.

Molecular Properties

Compound Name3-amino-8-propan-2-ylchromen-2-one
PubChem CID59144751
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-amino-8-propan-2-ylchromen-2-one
SMILESCC(C)c1cccc2cc(N)c(=O)oc12
InChIInChI=1S/C12H13NO2/c1-7(2)9-5-3-4-8-6-10(13)12(14)15-11(8)9/h3-7H,13H2,1-2H3
InChIKeyVYZVCOICHPIUQE-UHFFFAOYSA-N
XLogP2.50
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-propan-2-ylchromen-2-one?
The IUPAC name of 3-amino-8-propan-2-ylchromen-2-one (CID 59144751) is 3-amino-8-propan-2-ylchromen-2-one.
What is the SMILES notation for 3-amino-8-propan-2-ylchromen-2-one?
The canonical SMILES for 3-amino-8-propan-2-ylchromen-2-one is CC(C)c1cccc2cc(N)c(=O)oc12.
What is the InChIKey of 3-amino-8-propan-2-ylchromen-2-one?
The InChIKey is VYZVCOICHPIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)9-5-3-4-8-6-10(13)12(14)15-11(8)9/h3-7H,13H2,1-2H3.
What are the key properties of 3-amino-8-propan-2-ylchromen-2-one?
3-amino-8-propan-2-ylchromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-propan-2-ylchromen-2-one is sourced from PubChem (CID 59144751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).