[(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane

C15H18NP — CID 142031751

IUPAC[(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane
SMILESC/C(P)=C(\C)c1cc(-c2cccc(C)c2)c[nH]1
InChIInChI=1S/C15H18NP/c1-10-5-4-6-13(7-10)14-8-15(16-9-14)11(2)12(3)17/h4-9,16H,17H2,1-3H3/b12-11-
InChIKeyJSFNGKCZQYCNNX-QXMHVHEDSA-N
MW243.29 g/mol
LogP4.62
Rot. Bonds2

About [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane

[(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane (PubChem CID 142031751) has the molecular formula C15H18NP and a molecular weight of 243.29 g/mol. Its IUPAC name is [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane.

Molecular Properties

Compound Name[(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane
PubChem CID142031751
Molecular FormulaC15H18NP
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC Name[(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane
SMILESC/C(P)=C(\C)c1cc(-c2cccc(C)c2)c[nH]1
InChIInChI=1S/C15H18NP/c1-10-5-4-6-13(7-10)14-8-15(16-9-14)11(2)12(3)17/h4-9,16H,17H2,1-3H3/b12-11-
InChIKeyJSFNGKCZQYCNNX-QXMHVHEDSA-N
XLogP4.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 45496738
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-phenylbenzene
CID 142040878
4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 16780334
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane?
The IUPAC name of [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane (CID 142031751) is [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane.
What is the SMILES notation for [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane?
The canonical SMILES for [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane is C/C(P)=C(\C)c1cc(-c2cccc(C)c2)c[nH]1.
What is the InChIKey of [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane?
The InChIKey is JSFNGKCZQYCNNX-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H18NP/c1-10-5-4-6-13(7-10)14-8-15(16-9-14)11(2)12(3)17/h4-9,16H,17H2,1-3H3/b12-11-.
What are the key properties of [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane?
[(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane has a molecular weight of 243.29 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[4-(3-methylphenyl)-1H-pyrrol-2-yl]but-2-en-2-yl]phosphane is sourced from PubChem (CID 142031751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).