9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole

C16H21N — CID 139457875

IUPAC9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole
SMILESCCN1C2=C(C3=CC=CCC31)C(C)C(C)C=C2
InChIInChI=1S/C16H21N/c1-4-17-14-8-6-5-7-13(14)16-12(3)11(2)9-10-15(16)17/h5-7,9-12,14H,4,8H2,1-3H3
InChIKeyXXOFZQBLHNLXRD-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.67
Rot. Bonds1

About 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole

9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole (PubChem CID 139457875) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole
PubChem CID139457875
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole
SMILESCCN1C2=C(C3=CC=CCC31)C(C)C(C)C=C2
InChIInChI=1S/C16H21N/c1-4-17-14-8-6-5-7-13(14)16-12(3)11(2)9-10-15(16)17/h5-7,9-12,14H,4,8H2,1-3H3
InChIKeyXXOFZQBLHNLXRD-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole?
The IUPAC name of 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole (CID 139457875) is 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole.
What is the SMILES notation for 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole?
The canonical SMILES for 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole is CCN1C2=C(C3=CC=CCC31)C(C)C(C)C=C2.
What is the InChIKey of 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole?
The InChIKey is XXOFZQBLHNLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-17-14-8-6-5-7-13(14)16-12(3)11(2)9-10-15(16)17/h5-7,9-12,14H,4,8H2,1-3H3.
What are the key properties of 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole?
9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole has a molecular weight of 227.35 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-5,6-dimethyl-1,5,6,9a-tetrahydrocarbazole is sourced from PubChem (CID 139457875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).