2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one

C15H15NO3 — CID 20511418

IUPAC2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one
SMILESCCCc1c(CN)oc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C15H15NO3/c1-2-3-10-11-6-9-4-5-15(17)19-12(9)7-13(11)18-14(10)8-16/h4-7H,2-3,8,16H2,1H3
InChIKeyPUYDECQIAUBGKT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.95
Rot. Bonds3

About 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one

2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one (PubChem CID 20511418) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one
PubChem CID20511418
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one
SMILESCCCc1c(CN)oc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C15H15NO3/c1-2-3-10-11-6-9-4-5-15(17)19-12(9)7-13(11)18-14(10)8-16/h4-7H,2-3,8,16H2,1H3
InChIKeyPUYDECQIAUBGKT-UHFFFAOYSA-N
XLogP2.95
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
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 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one (CID 20511418) is 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one is CCCc1c(CN)oc2cc3oc(=O)ccc3cc12.
What is the InChIKey of 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one?
The InChIKey is PUYDECQIAUBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-3-10-11-6-9-4-5-15(17)19-12(9)7-13(11)18-14(10)8-16/h4-7H,2-3,8,16H2,1H3.
What are the key properties of 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one?
2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one has a molecular weight of 257.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-propylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 20511418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).