1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole

C17H23N — CID 146207063

IUPAC1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole
SMILESCC1=C(C(C)C)C2=C(C3=CC=CCC3N2C)C1C
InChIInChI=1S/C17H23N/c1-10(2)15-11(3)12(4)16-13-8-6-7-9-14(13)18(5)17(15)16/h6-8,10,12,14H,9H2,1-5H3
InChIKeyQUGPRZXOBPBQOP-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.06
Rot. Bonds1

About 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole

1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole (PubChem CID 146207063) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole
PubChem CID146207063
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole
SMILESCC1=C(C(C)C)C2=C(C3=CC=CCC3N2C)C1C
InChIInChI=1S/C17H23N/c1-10(2)15-11(3)12(4)16-13-8-6-7-9-14(13)18(5)17(15)16/h6-8,10,12,14H,9H2,1-5H3
InChIKeyQUGPRZXOBPBQOP-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole (CID 146207063) is 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole is CC1=C(C(C)C)C2=C(C3=CC=CCC3N2C)C1C.
What is the InChIKey of 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole?
The InChIKey is QUGPRZXOBPBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-10(2)15-11(3)12(4)16-13-8-6-7-9-14(13)18(5)17(15)16/h6-8,10,12,14H,9H2,1-5H3.
What are the key properties of 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole?
1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole has a molecular weight of 241.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-propan-2-yl-4a,5-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 146207063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).