(6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole

C18H23N — CID 23426268

IUPAC(6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
SMILESCC/C=C\c1c(C)c2c(c3[nH]ccc13)[C@@H](C)C[C@H]2C
InChIInChI=1S/C18H23N/c1-5-6-7-14-13(4)16-11(2)10-12(3)17(16)18-15(14)8-9-19-18/h6-9,11-12,19H,5,10H2,1-4H3/b7-6-/t11-,12+/m1/s1
InChIKeyYGJOTNUEIJGQSG-PBWNMSGQSA-N
MW253.39 g/mol
LogP5.51
Rot. Bonds2

About (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole

(6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole (PubChem CID 23426268) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole.

Molecular Properties

Compound Name(6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
PubChem CID23426268
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
SMILESCC/C=C\c1c(C)c2c(c3[nH]ccc13)[C@@H](C)C[C@H]2C
InChIInChI=1S/C18H23N/c1-5-6-7-14-13(4)16-11(2)10-12(3)17(16)18-15(14)8-9-19-18/h6-9,11-12,19H,5,10H2,1-4H3/b7-6-/t11-,12+/m1/s1
InChIKeyYGJOTNUEIJGQSG-PBWNMSGQSA-N
XLogP5.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
The IUPAC name of (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole (CID 23426268) is (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole.
What is the SMILES notation for (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
The canonical SMILES for (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole is CC/C=C\c1c(C)c2c(c3[nH]ccc13)[C@@H](C)C[C@H]2C.
What is the InChIKey of (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
The InChIKey is YGJOTNUEIJGQSG-PBWNMSGQSA-N. The full InChI is InChI=1S/C18H23N/c1-5-6-7-14-13(4)16-11(2)10-12(3)17(16)18-15(14)8-9-19-18/h6-9,11-12,19H,5,10H2,1-4H3/b7-6-/t11-,12+/m1/s1.
What are the key properties of (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole?
(6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole has a molecular weight of 253.39 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-4-[(Z)-but-1-enyl]-5,6,8-trimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole is sourced from PubChem (CID 23426268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).