(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole

C17H19N — CID 21138647

IUPAC(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole
SMILESC/C=C1/N(C)c2ccc3ccccc3c2C1(C)C
InChIInChI=1S/C17H19N/c1-5-15-17(2,3)16-13-9-7-6-8-12(13)10-11-14(16)18(15)4/h5-11H,1-4H3/b15-5+
InChIKeyIXQNKCXNUDHNFF-PJQLUOCWSA-N
MW237.35 g/mol
LogP4.47
Rot. Bonds

About (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole

(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole (PubChem CID 21138647) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole.

Molecular Properties

Compound Name(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole
PubChem CID21138647
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole
SMILESC/C=C1/N(C)c2ccc3ccccc3c2C1(C)C
InChIInChI=1S/C17H19N/c1-5-15-17(2,3)16-13-9-7-6-8-12(13)10-11-14(16)18(15)4/h5-11H,1-4H3/b15-5+
InChIKeyIXQNKCXNUDHNFF-PJQLUOCWSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole?
The IUPAC name of (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole (CID 21138647) is (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole.
What is the SMILES notation for (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole?
The canonical SMILES for (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole is C/C=C1/N(C)c2ccc3ccccc3c2C1(C)C.
What is the InChIKey of (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole?
The InChIKey is IXQNKCXNUDHNFF-PJQLUOCWSA-N. The full InChI is InChI=1S/C17H19N/c1-5-15-17(2,3)16-13-9-7-6-8-12(13)10-11-14(16)18(15)4/h5-11H,1-4H3/b15-5+.
What are the key properties of (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole?
(2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole has a molecular weight of 237.35 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1,1,3-trimethylbenzo[e]indole is sourced from PubChem (CID 21138647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).