ethane;2-(1-phenylethenyl)-1H-pyrrole

C14H17N — CID 143466558

IUPACethane;2-(1-phenylethenyl)-1H-pyrrole
SMILESC=C(c1ccccc1)c1ccc[nH]1.CC
InChIInChI=1S/C12H11N.C2H6/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11;1-2/h2-9,13H,1H2;1-2H3
InChIKeyNEYGMJALQLNXFF-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.10
Rot. Bonds2

About ethane;2-(1-phenylethenyl)-1H-pyrrole

ethane;2-(1-phenylethenyl)-1H-pyrrole (PubChem CID 143466558) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;2-(1-phenylethenyl)-1H-pyrrole.

Molecular Properties

Compound Nameethane;2-(1-phenylethenyl)-1H-pyrrole
PubChem CID143466558
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Nameethane;2-(1-phenylethenyl)-1H-pyrrole
SMILESC=C(c1ccccc1)c1ccc[nH]1.CC
InChIInChI=1S/C12H11N.C2H6/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11;1-2/h2-9,13H,1H2;1-2H3
InChIKeyNEYGMJALQLNXFF-UHFFFAOYSA-N
XLogP4.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze ethane;2-(1-phenylethenyl)-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
CID 132819412
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
(2E)-2-methyl-5,5-diphenyl-3-(1H-pyrrol-2-yl)penta-2,4-dienal
CID 177463569
phenol;1-phenylethenylbenzene
CID 174309625
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
2-phenyl-1-(1H-pyrrol-2-yl)butan-1-one
CID 63748008
5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde
CID 22628798
(Z)-N-methyl-N'-[1-(1H-pyrrol-2-yl)ethenyl]ethene-1,2-diamine
CID 89221455

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-phenylethenyl)-1H-pyrrole?
The IUPAC name of ethane;2-(1-phenylethenyl)-1H-pyrrole (CID 143466558) is ethane;2-(1-phenylethenyl)-1H-pyrrole.
What is the SMILES notation for ethane;2-(1-phenylethenyl)-1H-pyrrole?
The canonical SMILES for ethane;2-(1-phenylethenyl)-1H-pyrrole is C=C(c1ccccc1)c1ccc[nH]1.CC.
What is the InChIKey of ethane;2-(1-phenylethenyl)-1H-pyrrole?
The InChIKey is NEYGMJALQLNXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C2H6/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11;1-2/h2-9,13H,1H2;1-2H3.
What are the key properties of ethane;2-(1-phenylethenyl)-1H-pyrrole?
ethane;2-(1-phenylethenyl)-1H-pyrrole has a molecular weight of 199.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-phenylethenyl)-1H-pyrrole is sourced from PubChem (CID 143466558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).