(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole

C16H25N — CID 71108314

IUPAC(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole
SMILESC/C=C1/N(CCC)C2=C(CC(C)C=C2)C1(C)C
InChIInChI=1S/C16H25N/c1-6-10-17-14-9-8-12(3)11-13(14)16(4,5)15(17)7-2/h7-9,12H,6,10-11H2,1-5H3/b15-7+
InChIKeyGZOBGUPNGIQPTP-VIZOYTHASA-N
MW231.38 g/mol
LogP4.49
Rot. Bonds2

About (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole

(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole (PubChem CID 71108314) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole
PubChem CID71108314
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole
SMILESC/C=C1/N(CCC)C2=C(CC(C)C=C2)C1(C)C
InChIInChI=1S/C16H25N/c1-6-10-17-14-9-8-12(3)11-13(14)16(4,5)15(17)7-2/h7-9,12H,6,10-11H2,1-5H3/b15-7+
InChIKeyGZOBGUPNGIQPTP-VIZOYTHASA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole?
The IUPAC name of (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole (CID 71108314) is (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole.
What is the SMILES notation for (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole?
The canonical SMILES for (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole is C/C=C1/N(CCC)C2=C(CC(C)C=C2)C1(C)C.
What is the InChIKey of (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole?
The InChIKey is GZOBGUPNGIQPTP-VIZOYTHASA-N. The full InChI is InChI=1S/C16H25N/c1-6-10-17-14-9-8-12(3)11-13(14)16(4,5)15(17)7-2/h7-9,12H,6,10-11H2,1-5H3/b15-7+.
What are the key properties of (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole?
(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole has a molecular weight of 231.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole is sourced from PubChem (CID 71108314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).