6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole

C23H27N — CID 126695691

IUPAC6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole
SMILESC/C=C\C1=C(C)C(C)(C)C2=C1C=CC1C2c2ccccc2N1CC
InChIInChI=1S/C23H27N/c1-6-10-16-15(3)23(4,5)22-17(16)13-14-20-21(22)18-11-8-9-12-19(18)24(20)7-2/h6,8-14,20-21H,7H2,1-5H3/b10-6-
InChIKeyAXKRVJXQYKJKIP-POHAHGRESA-N
MW317.48 g/mol
LogP5.78
Rot. Bonds2

About 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole

6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole (PubChem CID 126695691) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole.

Molecular Properties

Compound Name6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole
PubChem CID126695691
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole
SMILESC/C=C\C1=C(C)C(C)(C)C2=C1C=CC1C2c2ccccc2N1CC
InChIInChI=1S/C23H27N/c1-6-10-16-15(3)23(4,5)22-17(16)13-14-20-21(22)18-11-8-9-12-19(18)24(20)7-2/h6,8-14,20-21H,7H2,1-5H3/b10-6-
InChIKeyAXKRVJXQYKJKIP-POHAHGRESA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole?
The IUPAC name of 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole (CID 126695691) is 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole.
What is the SMILES notation for 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole?
The canonical SMILES for 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole is C/C=C\C1=C(C)C(C)(C)C2=C1C=CC1C2c2ccccc2N1CC.
What is the InChIKey of 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole?
The InChIKey is AXKRVJXQYKJKIP-POHAHGRESA-N. The full InChI is InChI=1S/C23H27N/c1-6-10-16-15(3)23(4,5)22-17(16)13-14-20-21(22)18-11-8-9-12-19(18)24(20)7-2/h6,8-14,20-21H,7H2,1-5H3/b10-6-.
What are the key properties of 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole?
6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole has a molecular weight of 317.48 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]-5a,10b-dihydrocyclopenta[c]carbazole is sourced from PubChem (CID 126695691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).