3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one

C19H23NO3 — CID 89134120

IUPAC3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCCCCN
InChIInChI=1S/C19H23NO3/c1-11-9-17(21)23-18-12(2)19-16(10-15(11)18)14(13(3)22-19)7-5-4-6-8-20/h9-10H,4-8,20H2,1-3H3
InChIKeyBBYSLTIRXCDBHE-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.14
Rot. Bonds5

About 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one

3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 89134120) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID89134120
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCCCCN
InChIInChI=1S/C19H23NO3/c1-11-9-17(21)23-18-12(2)19-16(10-15(11)18)14(13(3)22-19)7-5-4-6-8-20/h9-10H,4-8,20H2,1-3H3
InChIKeyBBYSLTIRXCDBHE-UHFFFAOYSA-N
XLogP4.14
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 89134120) is 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one is Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCCCCN.
What is the InChIKey of 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is BBYSLTIRXCDBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-11-9-17(21)23-18-12(2)19-16(10-15(11)18)14(13(3)22-19)7-5-4-6-8-20/h9-10H,4-8,20H2,1-3H3.
What are the key properties of 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one?
3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 313.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 89134120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).