aniline;ethene;1H-indole

C16H18N2 — CID 175242529

IUPACaniline;ethene;1H-indole
SMILESC=C.Nc1ccccc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C6H7N.C2H4/c1-2-4-8-7(3-1)5-6-9-8;7-6-4-2-1-3-5-6;1-2/h1-6,9H;1-5H,7H2;1-2H2
InChIKeyOVGUNCNJXDMQNV-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.24
Rot. Bonds

About aniline;ethene;1H-indole

aniline;ethene;1H-indole (PubChem CID 175242529) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is aniline;ethene;1H-indole.

Molecular Properties

Compound Nameaniline;ethene;1H-indole
PubChem CID175242529
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Nameaniline;ethene;1H-indole
SMILESC=C.Nc1ccccc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C6H7N.C2H4/c1-2-4-8-7(3-1)5-6-9-8;7-6-4-2-1-3-5-6;1-2/h1-6,9H;1-5H,7H2;1-2H2
InChIKeyOVGUNCNJXDMQNV-UHFFFAOYSA-N
XLogP4.24
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;ethene;1H-indole?
The IUPAC name of aniline;ethene;1H-indole (CID 175242529) is aniline;ethene;1H-indole.
What is the SMILES notation for aniline;ethene;1H-indole?
The canonical SMILES for aniline;ethene;1H-indole is C=C.Nc1ccccc1.c1ccc2[nH]ccc2c1.
What is the InChIKey of aniline;ethene;1H-indole?
The InChIKey is OVGUNCNJXDMQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C6H7N.C2H4/c1-2-4-8-7(3-1)5-6-9-8;7-6-4-2-1-3-5-6;1-2/h1-6,9H;1-5H,7H2;1-2H2.
What are the key properties of aniline;ethene;1H-indole?
aniline;ethene;1H-indole has a molecular weight of 238.33 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;ethene;1H-indole is sourced from PubChem (CID 175242529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).