(3Z)-3-ethylidene-1-phenylindol-2-imine

C16H14N2 — CID 154931756

IUPAC(3Z)-3-ethylidene-1-phenylindol-2-imine
SMILES[H]/N=C1C(=C/C)\c2ccccc2N\1c1ccccc1
InChIInChI=1S/C16H14N2/c1-2-13-14-10-6-7-11-15(14)18(16(13)17)12-8-4-3-5-9-12/h2-11,17H,1H3/b13-2-,17-16+
InChIKeyJJRYGQQYTXXLQO-KVFKYMJISA-N
MW234.30 g/mol
LogP4.22
Rot. Bonds1

About (3Z)-3-ethylidene-1-phenylindol-2-imine

(3Z)-3-ethylidene-1-phenylindol-2-imine (PubChem CID 154931756) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-phenylindol-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-phenylindol-2-imine
PubChem CID154931756
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name(3Z)-3-ethylidene-1-phenylindol-2-imine
SMILES[H]/N=C1C(=C/C)\c2ccccc2N\1c1ccccc1
InChIInChI=1S/C16H14N2/c1-2-13-14-10-6-7-11-15(14)18(16(13)17)12-8-4-3-5-9-12/h2-11,17H,1H3/b13-2-,17-16+
InChIKeyJJRYGQQYTXXLQO-KVFKYMJISA-N
XLogP4.22
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-phenylindol-2-imine?
The IUPAC name of (3Z)-3-ethylidene-1-phenylindol-2-imine (CID 154931756) is (3Z)-3-ethylidene-1-phenylindol-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-1-phenylindol-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-1-phenylindol-2-imine is [H]/N=C1C(=C/C)\c2ccccc2N\1c1ccccc1.
What is the InChIKey of (3Z)-3-ethylidene-1-phenylindol-2-imine?
The InChIKey is JJRYGQQYTXXLQO-KVFKYMJISA-N. The full InChI is InChI=1S/C16H14N2/c1-2-13-14-10-6-7-11-15(14)18(16(13)17)12-8-4-3-5-9-12/h2-11,17H,1H3/b13-2-,17-16+.
What are the key properties of (3Z)-3-ethylidene-1-phenylindol-2-imine?
(3Z)-3-ethylidene-1-phenylindol-2-imine has a molecular weight of 234.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-phenylindol-2-imine is sourced from PubChem (CID 154931756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).