(4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole

C17H23N — CID 138718078

IUPAC(4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole
SMILESCCN1C2=C(C(C)C(C)C=C2)[C@H]2C=C(C)C=CC21
InChIInChI=1S/C17H23N/c1-5-18-15-8-6-11(2)10-14(15)17-13(4)12(3)7-9-16(17)18/h6-10,12-15H,5H2,1-4H3/t12?,13?,14-,15?/m0/s1
InChIKeyZZZQXKVIJAVGPA-YFXXHVASSA-N
MW241.38 g/mol
LogP3.92
Rot. Bonds1

About (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole

(4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole (PubChem CID 138718078) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole.

Molecular Properties

Compound Name(4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole
PubChem CID138718078
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole
SMILESCCN1C2=C(C(C)C(C)C=C2)[C@H]2C=C(C)C=CC21
InChIInChI=1S/C17H23N/c1-5-18-15-8-6-11(2)10-14(15)17-13(4)12(3)7-9-16(17)18/h6-10,12-15H,5H2,1-4H3/t12?,13?,14-,15?/m0/s1
InChIKeyZZZQXKVIJAVGPA-YFXXHVASSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole?
The IUPAC name of (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole (CID 138718078) is (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole.
What is the SMILES notation for (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole?
The canonical SMILES for (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole is CCN1C2=C(C(C)C(C)C=C2)[C@H]2C=C(C)C=CC21.
What is the InChIKey of (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole?
The InChIKey is ZZZQXKVIJAVGPA-YFXXHVASSA-N. The full InChI is InChI=1S/C17H23N/c1-5-18-15-8-6-11(2)10-14(15)17-13(4)12(3)7-9-16(17)18/h6-10,12-15H,5H2,1-4H3/t12?,13?,14-,15?/m0/s1.
What are the key properties of (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole?
(4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole has a molecular weight of 241.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR)-9-ethyl-3,4,6-trimethyl-3,4,4b,8a-tetrahydrocarbazole is sourced from PubChem (CID 138718078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).