3-amino-7-hydroxychromen-2-one;ethane

C11H13NO3 — CID 145140351

IUPAC3-amino-7-hydroxychromen-2-one;ethane
SMILESCC.Nc1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C9H7NO3.C2H6/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12;1-2/h1-4,11H,10H2;1-2H3
InChIKeyVXDBURJISXKQRE-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.11
Rot. Bonds

About 3-amino-7-hydroxychromen-2-one;ethane

3-amino-7-hydroxychromen-2-one;ethane (PubChem CID 145140351) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-amino-7-hydroxychromen-2-one;ethane.

Molecular Properties

Compound Name3-amino-7-hydroxychromen-2-one;ethane
PubChem CID145140351
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-amino-7-hydroxychromen-2-one;ethane
SMILESCC.Nc1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C9H7NO3.C2H6/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12;1-2/h1-4,11H,10H2;1-2H3
InChIKeyVXDBURJISXKQRE-UHFFFAOYSA-N
XLogP2.11
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-7-hydroxychromen-2-one;ethane?
The IUPAC name of 3-amino-7-hydroxychromen-2-one;ethane (CID 145140351) is 3-amino-7-hydroxychromen-2-one;ethane.
What is the SMILES notation for 3-amino-7-hydroxychromen-2-one;ethane?
The canonical SMILES for 3-amino-7-hydroxychromen-2-one;ethane is CC.Nc1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 3-amino-7-hydroxychromen-2-one;ethane?
The InChIKey is VXDBURJISXKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3.C2H6/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12;1-2/h1-4,11H,10H2;1-2H3.
What are the key properties of 3-amino-7-hydroxychromen-2-one;ethane?
3-amino-7-hydroxychromen-2-one;ethane has a molecular weight of 207.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-hydroxychromen-2-one;ethane is sourced from PubChem (CID 145140351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).