9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole

C18H25NO — CID 163631403

IUPAC9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole
SMILESCCN1C2=CCC(OCC(C)C)C=C2C2C=CC=CC21
InChIInChI=1S/C18H25NO/c1-4-19-17-8-6-5-7-15(17)16-11-14(9-10-18(16)19)20-12-13(2)3/h5-8,10-11,13-15,17H,4,9,12H2,1-3H3
InChIKeyHWJRIYPGMPJZCI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.69
Rot. Bonds4

About 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole

9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole (PubChem CID 163631403) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole
PubChem CID163631403
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole
SMILESCCN1C2=CCC(OCC(C)C)C=C2C2C=CC=CC21
InChIInChI=1S/C18H25NO/c1-4-19-17-8-6-5-7-15(17)16-11-14(9-10-18(16)19)20-12-13(2)3/h5-8,10-11,13-15,17H,4,9,12H2,1-3H3
InChIKeyHWJRIYPGMPJZCI-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole?
The IUPAC name of 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole (CID 163631403) is 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole.
What is the SMILES notation for 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole?
The canonical SMILES for 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole is CCN1C2=CCC(OCC(C)C)C=C2C2C=CC=CC21.
What is the InChIKey of 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole?
The InChIKey is HWJRIYPGMPJZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-19-17-8-6-5-7-15(17)16-11-14(9-10-18(16)19)20-12-13(2)3/h5-8,10-11,13-15,17H,4,9,12H2,1-3H3.
What are the key properties of 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole?
9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole has a molecular weight of 271.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(2-methylpropoxy)-2,3,4b,8a-tetrahydrocarbazole is sourced from PubChem (CID 163631403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).