1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one

C23H21NO2 — CID 132535887

IUPAC1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one
SMILESO=C1c2ccccc2-c2c(NC3CCCCC3)oc(-c3ccccc3)c21
InChIInChI=1S/C23H21NO2/c25-21-18-14-8-7-13-17(18)19-20(21)22(15-9-3-1-4-10-15)26-23(19)24-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,24H,2,5-6,11-12H2
InChIKeyHUAZFPNBSLITJY-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.90
Rot. Bonds3

About 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one

1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one (PubChem CID 132535887) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one
PubChem CID132535887
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one
SMILESO=C1c2ccccc2-c2c(NC3CCCCC3)oc(-c3ccccc3)c21
InChIInChI=1S/C23H21NO2/c25-21-18-14-8-7-13-17(18)19-20(21)22(15-9-3-1-4-10-15)26-23(19)24-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,24H,2,5-6,11-12H2
InChIKeyHUAZFPNBSLITJY-UHFFFAOYSA-N
XLogP5.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one?
The IUPAC name of 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one (CID 132535887) is 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one.
What is the SMILES notation for 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one?
The canonical SMILES for 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one is O=C1c2ccccc2-c2c(NC3CCCCC3)oc(-c3ccccc3)c21.
What is the InChIKey of 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one?
The InChIKey is HUAZFPNBSLITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-21-18-14-8-7-13-17(18)19-20(21)22(15-9-3-1-4-10-15)26-23(19)24-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,24H,2,5-6,11-12H2.
What are the key properties of 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one?
1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one has a molecular weight of 343.43 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one is sourced from PubChem (CID 132535887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).