N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide

C15H13NO5 — CID 135132631

IUPACN-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide
SMILESCCC(=O)Nc1c2ccoc2c(OC)c2oc(=O)ccc12
InChIInChI=1S/C15H13NO5/c1-3-10(17)16-12-8-4-5-11(18)21-14(8)15(19-2)13-9(12)6-7-20-13/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyKSMIOQTYROSRJX-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.90
Rot. Bonds3

About N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide

N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide (PubChem CID 135132631) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide.

Molecular Properties

Compound NameN-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide
PubChem CID135132631
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC NameN-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide
SMILESCCC(=O)Nc1c2ccoc2c(OC)c2oc(=O)ccc12
InChIInChI=1S/C15H13NO5/c1-3-10(17)16-12-8-4-5-11(18)21-14(8)15(19-2)13-9(12)6-7-20-13/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyKSMIOQTYROSRJX-UHFFFAOYSA-N
XLogP2.90
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide?
The IUPAC name of N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide (CID 135132631) is N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide.
What is the SMILES notation for N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide?
The canonical SMILES for N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide is CCC(=O)Nc1c2ccoc2c(OC)c2oc(=O)ccc12.
What is the InChIKey of N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide?
The InChIKey is KSMIOQTYROSRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-3-10(17)16-12-8-4-5-11(18)21-14(8)15(19-2)13-9(12)6-7-20-13/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide?
N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide has a molecular weight of 287.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide is sourced from PubChem (CID 135132631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).