ethane;2-methyl-5-phenyl-3H-pyrrole;propane

C16H25N — CID 91542706

IUPACethane;2-methyl-5-phenyl-3H-pyrrole;propane
SMILESCC.CC1=NC(c2ccccc2)=CC1.CCC
InChIInChI=1S/C11H11N.C3H8.C2H6/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-3-2;1-2/h2-6,8H,7H2,1H3;3H2,1-2H3;1-2H3
InChIKeyDLYILLFZHXMGLA-UHFFFAOYSA-N
MW231.38 g/mol
LogP5.33
Rot. Bonds1

About ethane;2-methyl-5-phenyl-3H-pyrrole;propane

ethane;2-methyl-5-phenyl-3H-pyrrole;propane (PubChem CID 91542706) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;2-methyl-5-phenyl-3H-pyrrole;propane.

Molecular Properties

Compound Nameethane;2-methyl-5-phenyl-3H-pyrrole;propane
PubChem CID91542706
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethane;2-methyl-5-phenyl-3H-pyrrole;propane
SMILESCC.CC1=NC(c2ccccc2)=CC1.CCC
InChIInChI=1S/C11H11N.C3H8.C2H6/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-3-2;1-2/h2-6,8H,7H2,1H3;3H2,1-2H3;1-2H3
InChIKeyDLYILLFZHXMGLA-UHFFFAOYSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Butanediimine, N,N'-bis(4-methylphenyl)-
CID 572234
6,7-Diphenyldibenzo(E,G)(1,4)diazocine
CID 258179
2-N,3-N-bis(2-methylphenyl)butane-2,3-diimine
CID 583311
Benzenemethanamine, N-(1-methylethylidene)-
CID 3783166
N-benzylpentan-3-imine
CID 12290020
N-(1-phenylethyl)cyclohexanimine
CID 12723295
3,3-Dimethyl-5-phenyl-3h-pyrrole
CID 13077233
N-benzyl-2-fluorocyclohexan-1-imine
CID 135086496
N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 139124130
2,7-diphenyl-3H-azepine
CID 11053925
3-Methyl-2-phenyl-2H-azirine
CID 12403208
4,5-Dimethyl-2,2-diphenyl-2h-imidazole
CID 12421869

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-phenyl-3H-pyrrole;propane?
The IUPAC name of ethane;2-methyl-5-phenyl-3H-pyrrole;propane (CID 91542706) is ethane;2-methyl-5-phenyl-3H-pyrrole;propane.
What is the SMILES notation for ethane;2-methyl-5-phenyl-3H-pyrrole;propane?
The canonical SMILES for ethane;2-methyl-5-phenyl-3H-pyrrole;propane is CC.CC1=NC(c2ccccc2)=CC1.CCC.
What is the InChIKey of ethane;2-methyl-5-phenyl-3H-pyrrole;propane?
The InChIKey is DLYILLFZHXMGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C3H8.C2H6/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-3-2;1-2/h2-6,8H,7H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-phenyl-3H-pyrrole;propane?
ethane;2-methyl-5-phenyl-3H-pyrrole;propane has a molecular weight of 231.38 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-phenyl-3H-pyrrole;propane is sourced from PubChem (CID 91542706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).