10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

C16H19NO3 — CID 59119491

IUPAC10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
SMILESCCCc1cc(=O)oc2c3c(cc(C)c12)OCCC3N
InChIInChI=1S/C16H19NO3/c1-3-4-10-8-13(18)20-16-14(10)9(2)7-12-15(16)11(17)5-6-19-12/h7-8,11H,3-6,17H2,1-2H3
InChIKeyVVRLNYYFTPKLSG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.84
Rot. Bonds2

About 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one (PubChem CID 59119491) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one.

Molecular Properties

Compound Name10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
PubChem CID59119491
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
SMILESCCCc1cc(=O)oc2c3c(cc(C)c12)OCCC3N
InChIInChI=1S/C16H19NO3/c1-3-4-10-8-13(18)20-16-14(10)9(2)7-12-15(16)11(17)5-6-19-12/h7-8,11H,3-6,17H2,1-2H3
InChIKeyVVRLNYYFTPKLSG-UHFFFAOYSA-N
XLogP2.84
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.84
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 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The IUPAC name of 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one (CID 59119491) is 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one.
What is the SMILES notation for 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The canonical SMILES for 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one is CCCc1cc(=O)oc2c3c(cc(C)c12)OCCC3N.
What is the InChIKey of 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The InChIKey is VVRLNYYFTPKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-4-10-8-13(18)20-16-14(10)9(2)7-12-15(16)11(17)5-6-19-12/h7-8,11H,3-6,17H2,1-2H3.
What are the key properties of 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-5-methyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one is sourced from PubChem (CID 59119491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).