7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane

C24H33N — CID 143755900

IUPAC7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane
SMILESC1=CC2C(C3=CCC=C3)=CN=C2C(CCC2CCCCC2)=C1.CCC
InChIInChI=1S/C21H25N.C3H8/c1-2-7-16(8-3-1)13-14-18-11-6-12-19-20(15-22-21(18)19)17-9-4-5-10-17;1-3-2/h4,6,9-12,15-16,19H,1-3,5,7-8,13-14H2;3H2,1-2H3
InChIKeyCDTCFRWIJPBBLW-UHFFFAOYSA-N
MW335.54 g/mol
LogP7.10
Rot. Bonds4

About 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane

7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane (PubChem CID 143755900) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane
PubChem CID143755900
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane
SMILESC1=CC2C(C3=CCC=C3)=CN=C2C(CCC2CCCCC2)=C1.CCC
InChIInChI=1S/C21H25N.C3H8/c1-2-7-16(8-3-1)13-14-18-11-6-12-19-20(15-22-21(18)19)17-9-4-5-10-17;1-3-2/h4,6,9-12,15-16,19H,1-3,5,7-8,13-14H2;3H2,1-2H3
InChIKeyCDTCFRWIJPBBLW-UHFFFAOYSA-N
XLogP7.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane?
The IUPAC name of 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane (CID 143755900) is 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane.
What is the SMILES notation for 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane?
The canonical SMILES for 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane is C1=CC2C(C3=CCC=C3)=CN=C2C(CCC2CCCCC2)=C1.CCC.
What is the InChIKey of 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane?
The InChIKey is CDTCFRWIJPBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.C3H8/c1-2-7-16(8-3-1)13-14-18-11-6-12-19-20(15-22-21(18)19)17-9-4-5-10-17;1-3-2/h4,6,9-12,15-16,19H,1-3,5,7-8,13-14H2;3H2,1-2H3.
What are the key properties of 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane?
7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane has a molecular weight of 335.54 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-3-cyclopenta-1,4-dien-1-yl-3aH-indole;propane is sourced from PubChem (CID 143755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).