7-[ethyl(propyl)amino]-4-methylchromen-2-one

C15H19NO2 — CID 155169379

IUPAC7-[ethyl(propyl)amino]-4-methylchromen-2-one
SMILESCCCN(CC)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H19NO2/c1-4-8-16(5-2)12-6-7-13-11(3)9-15(17)18-14(13)10-12/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySQIDKIAAAWJNSS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.34
Rot. Bonds4

About 7-[ethyl(propyl)amino]-4-methylchromen-2-one

7-[ethyl(propyl)amino]-4-methylchromen-2-one (PubChem CID 155169379) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-[ethyl(propyl)amino]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[ethyl(propyl)amino]-4-methylchromen-2-one
PubChem CID155169379
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name7-[ethyl(propyl)amino]-4-methylchromen-2-one
SMILESCCCN(CC)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H19NO2/c1-4-8-16(5-2)12-6-7-13-11(3)9-15(17)18-14(13)10-12/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySQIDKIAAAWJNSS-UHFFFAOYSA-N
XLogP3.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(propyl)amino]-4-methylchromen-2-one?
The IUPAC name of 7-[ethyl(propyl)amino]-4-methylchromen-2-one (CID 155169379) is 7-[ethyl(propyl)amino]-4-methylchromen-2-one.
What is the SMILES notation for 7-[ethyl(propyl)amino]-4-methylchromen-2-one?
The canonical SMILES for 7-[ethyl(propyl)amino]-4-methylchromen-2-one is CCCN(CC)c1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 7-[ethyl(propyl)amino]-4-methylchromen-2-one?
The InChIKey is SQIDKIAAAWJNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-8-16(5-2)12-6-7-13-11(3)9-15(17)18-14(13)10-12/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 7-[ethyl(propyl)amino]-4-methylchromen-2-one?
7-[ethyl(propyl)amino]-4-methylchromen-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(propyl)amino]-4-methylchromen-2-one is sourced from PubChem (CID 155169379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).