10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one

C17H10F3NO2 — CID 71519390

IUPAC10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one
SMILESCc1cccc2c1[nH]c1c2ccc2c(C(F)(F)F)cc(=O)oc21
InChIInChI=1S/C17H10F3NO2/c1-8-3-2-4-9-10-5-6-11-12(17(18,19)20)7-13(22)23-16(11)15(10)21-14(8)9/h2-7,21H,1H3
InChIKeySHNLDKRJLLJGJZ-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.75
Rot. Bonds

About 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one

10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one (PubChem CID 71519390) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one.

Molecular Properties

Compound Name10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one
PubChem CID71519390
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one
SMILESCc1cccc2c1[nH]c1c2ccc2c(C(F)(F)F)cc(=O)oc21
InChIInChI=1S/C17H10F3NO2/c1-8-3-2-4-9-10-5-6-11-12(17(18,19)20)7-13(22)23-16(11)15(10)21-14(8)9/h2-7,21H,1H3
InChIKeySHNLDKRJLLJGJZ-UHFFFAOYSA-N
XLogP4.75
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one?
The IUPAC name of 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one (CID 71519390) is 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one.
What is the SMILES notation for 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one?
The canonical SMILES for 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one is Cc1cccc2c1[nH]c1c2ccc2c(C(F)(F)F)cc(=O)oc21.
What is the InChIKey of 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one?
The InChIKey is SHNLDKRJLLJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c1-8-3-2-4-9-10-5-6-11-12(17(18,19)20)7-13(22)23-16(11)15(10)21-14(8)9/h2-7,21H,1H3.
What are the key properties of 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one?
10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one has a molecular weight of 317.27 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-(trifluoromethyl)-11H-pyrano[2,3-a]carbazol-2-one is sourced from PubChem (CID 71519390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).