3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole

C22H23NO — CID 102081528

IUPAC3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole
SMILESCC(C)=CCC1(C)C=CC2=C3C(=Nc4ccc(C)cc43)CC=C2O1
InChIInChI=1S/C22H23NO/c1-14(2)9-11-22(4)12-10-16-20(24-22)8-7-19-21(16)17-13-15(3)5-6-18(17)23-19/h5-6,8-10,12-13H,7,11H2,1-4H3
InChIKeyIATDFNVKSWPCJJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.82
Rot. Bonds2

About 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole

3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole (PubChem CID 102081528) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole.

Molecular Properties

Compound Name3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole
PubChem CID102081528
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole
SMILESCC(C)=CCC1(C)C=CC2=C3C(=Nc4ccc(C)cc43)CC=C2O1
InChIInChI=1S/C22H23NO/c1-14(2)9-11-22(4)12-10-16-20(24-22)8-7-19-21(16)17-13-15(3)5-6-18(17)23-19/h5-6,8-10,12-13H,7,11H2,1-4H3
InChIKeyIATDFNVKSWPCJJ-UHFFFAOYSA-N
XLogP5.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole?
The IUPAC name of 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole (CID 102081528) is 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole.
What is the SMILES notation for 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole?
The canonical SMILES for 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole is CC(C)=CCC1(C)C=CC2=C3C(=Nc4ccc(C)cc43)CC=C2O1.
What is the InChIKey of 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole?
The InChIKey is IATDFNVKSWPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-14(2)9-11-22(4)12-10-16-20(24-22)8-7-19-21(16)17-13-15(3)5-6-18(17)23-19/h5-6,8-10,12-13H,7,11H2,1-4H3.
What are the key properties of 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole?
3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole has a molecular weight of 317.43 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-3-(3-methylbut-2-enyl)-6H-pyrano[2,3-c]carbazole is sourced from PubChem (CID 102081528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).