11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole

C20H23N — CID 71114365

IUPAC11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole
SMILESCC1C2C=c3c4c([nH]c3=CC2C2C=CCCC12)C=CCC4
InChIInChI=1S/C20H23N/c1-12-13-6-2-3-7-14(13)17-11-20-18(10-16(12)17)15-8-4-5-9-19(15)21-20/h3,5,7,9-14,16-17,21H,2,4,6,8H2,1H3
InChIKeyKBBZAVLIFUKEDR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.01
Rot. Bonds

About 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole

11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole (PubChem CID 71114365) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole.

Molecular Properties

Compound Name11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole
PubChem CID71114365
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole
SMILESCC1C2C=c3c4c([nH]c3=CC2C2C=CCCC12)C=CCC4
InChIInChI=1S/C20H23N/c1-12-13-6-2-3-7-14(13)17-11-20-18(10-16(12)17)15-8-4-5-9-19(15)21-20/h3,5,7,9-14,16-17,21H,2,4,6,8H2,1H3
InChIKeyKBBZAVLIFUKEDR-UHFFFAOYSA-N
XLogP3.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole?
The IUPAC name of 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole (CID 71114365) is 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole.
What is the SMILES notation for 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole?
The canonical SMILES for 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole is CC1C2C=c3c4c([nH]c3=CC2C2C=CCCC12)C=CCC4.
What is the InChIKey of 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole?
The InChIKey is KBBZAVLIFUKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-12-13-6-2-3-7-14(13)17-11-20-18(10-16(12)17)15-8-4-5-9-19(15)21-20/h3,5,7,9-14,16-17,21H,2,4,6,8H2,1H3.
What are the key properties of 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole?
11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole has a molecular weight of 277.41 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1,2,5,6a,6b,9,10,10a,11,11a-decahydroindeno[1,2-b]carbazole is sourced from PubChem (CID 71114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).