7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one

C23H33NO3 — CID 11360755

IUPAC7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one
SMILESC=CCN(C)CCCCCCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C23H33NO3/c1-3-16-24(2)17-10-8-6-4-5-7-9-11-18-26-21-14-12-20-13-15-23(25)27-22(20)19-21/h3,12-15,19H,1,4-11,16-18H2,2H3
InChIKeyVECSEFRBFCLJRM-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.41
Rot. Bonds14

About 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one

7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one (PubChem CID 11360755) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one.

Molecular Properties

Compound Name7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one
PubChem CID11360755
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one
SMILESC=CCN(C)CCCCCCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C23H33NO3/c1-3-16-24(2)17-10-8-6-4-5-7-9-11-18-26-21-14-12-20-13-15-23(25)27-22(20)19-21/h3,12-15,19H,1,4-11,16-18H2,2H3
InChIKeyVECSEFRBFCLJRM-UHFFFAOYSA-N
XLogP5.41
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one?
The IUPAC name of 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one (CID 11360755) is 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one.
What is the SMILES notation for 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one?
The canonical SMILES for 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one is C=CCN(C)CCCCCCCCCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one?
The InChIKey is VECSEFRBFCLJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-3-16-24(2)17-10-8-6-4-5-7-9-11-18-26-21-14-12-20-13-15-23(25)27-22(20)19-21/h3,12-15,19H,1,4-11,16-18H2,2H3.
What are the key properties of 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one?
7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one has a molecular weight of 371.52 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-[methyl(prop-2-enyl)amino]decoxy]chromen-2-one is sourced from PubChem (CID 11360755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).