6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one

C16H19NO2 — CID 175871436

IUPAC6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one
SMILESCC(NC1(C)CCC1)c1ccc2occc(=O)c2c1
InChIInChI=1S/C16H19NO2/c1-11(17-16(2)7-3-8-16)12-4-5-15-13(10-12)14(18)6-9-19-15/h4-6,9-11,17H,3,7-8H2,1-2H3
InChIKeyWOGZNFQXLBCGIX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.39
Rot. Bonds3

About 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one

6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one (PubChem CID 175871436) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one.

Molecular Properties

Compound Name6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one
PubChem CID175871436
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one
SMILESCC(NC1(C)CCC1)c1ccc2occc(=O)c2c1
InChIInChI=1S/C16H19NO2/c1-11(17-16(2)7-3-8-16)12-4-5-15-13(10-12)14(18)6-9-19-15/h4-6,9-11,17H,3,7-8H2,1-2H3
InChIKeyWOGZNFQXLBCGIX-UHFFFAOYSA-N
XLogP3.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one?
The IUPAC name of 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one (CID 175871436) is 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one.
What is the SMILES notation for 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one?
The canonical SMILES for 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one is CC(NC1(C)CCC1)c1ccc2occc(=O)c2c1.
What is the InChIKey of 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one?
The InChIKey is WOGZNFQXLBCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(17-16(2)7-3-8-16)12-4-5-15-13(10-12)14(18)6-9-19-15/h4-6,9-11,17H,3,7-8H2,1-2H3.
What are the key properties of 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one?
6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one has a molecular weight of 257.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-methylcyclobutyl)amino]ethyl]chromen-4-one is sourced from PubChem (CID 175871436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).