(11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole

C20H23N — CID 134959309

IUPAC(11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole
SMILESCC[C@]12N=C3CCC(C)(C)CC3=C1C=Cc1ccccc12
InChIInChI=1S/C20H23N/c1-4-20-16-8-6-5-7-14(16)9-10-17(20)15-13-19(2,3)12-11-18(15)21-20/h5-10H,4,11-13H2,1-3H3/t20-/m1/s1
InChIKeyHTNVVWZMJWYKRA-HXUWFJFHSA-N
MW277.41 g/mol
LogP5.28
Rot. Bonds1

About (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole

(11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole (PubChem CID 134959309) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole.

Molecular Properties

Compound Name(11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole
PubChem CID134959309
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole
SMILESCC[C@]12N=C3CCC(C)(C)CC3=C1C=Cc1ccccc12
InChIInChI=1S/C20H23N/c1-4-20-16-8-6-5-7-14(16)9-10-17(20)15-13-19(2,3)12-11-18(15)21-20/h5-10H,4,11-13H2,1-3H3/t20-/m1/s1
InChIKeyHTNVVWZMJWYKRA-HXUWFJFHSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole?
The IUPAC name of (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole (CID 134959309) is (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole.
What is the SMILES notation for (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole?
The canonical SMILES for (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole is CC[C@]12N=C3CCC(C)(C)CC3=C1C=Cc1ccccc12.
What is the InChIKey of (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole?
The InChIKey is HTNVVWZMJWYKRA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N/c1-4-20-16-8-6-5-7-14(16)9-10-17(20)15-13-19(2,3)12-11-18(15)21-20/h5-10H,4,11-13H2,1-3H3/t20-/m1/s1.
What are the key properties of (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole?
(11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole has a molecular weight of 277.41 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11aR)-11a-ethyl-8,8-dimethyl-9,10-dihydro-7H-benzo[a]carbazole is sourced from PubChem (CID 134959309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).