12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole

C21H25N — CID 139550708

IUPAC12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole
SMILESCC1(C)C2=C(C=CCC2)C2=C1C1C(C=C2)NC2C=CCCC21
InChIInChI=1S/C21H25N/c1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18/h3,6-7,10-12,15,17-19,22H,4-5,8-9H2,1-2H3
InChIKeyWIYCWAKXHPFXOV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.46
Rot. Bonds

About 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole

12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole (PubChem CID 139550708) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole
PubChem CID139550708
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole
SMILESCC1(C)C2=C(C=CCC2)C2=C1C1C(C=C2)NC2C=CCCC21
InChIInChI=1S/C21H25N/c1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18/h3,6-7,10-12,15,17-19,22H,4-5,8-9H2,1-2H3
InChIKeyWIYCWAKXHPFXOV-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole with MolForge

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Related Compounds

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CID 139470389
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CID 144511998
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CID 163950045
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CID 156826986
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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole?
The IUPAC name of 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole (CID 139550708) is 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole.
What is the SMILES notation for 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole?
The canonical SMILES for 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole is CC1(C)C2=C(C=CCC2)C2=C1C1C(C=C2)NC2C=CCCC21.
What is the InChIKey of 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole?
The InChIKey is WIYCWAKXHPFXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18/h3,6-7,10-12,15,17-19,22H,4-5,8-9H2,1-2H3.
What are the key properties of 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole?
12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole has a molecular weight of 291.44 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole is sourced from PubChem (CID 139550708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).