2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole

C19H27N — CID 143709170

IUPAC2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole
SMILESC=Cc1cc(C)c(/C=C2/CC(C(C)(C)C)CCC2=C)[nH]1
InChIInChI=1S/C19H27N/c1-7-17-10-14(3)18(20-17)12-15-11-16(19(4,5)6)9-8-13(15)2/h7,10,12,16,20H,1-2,8-9,11H2,3-6H3/b15-12-
InChIKeyRMDXAVFCUZUJBN-QINSGFPZSA-N
MW269.43 g/mol
LogP5.75
Rot. Bonds2

About 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole

2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole (PubChem CID 143709170) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole
PubChem CID143709170
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole
SMILESC=Cc1cc(C)c(/C=C2/CC(C(C)(C)C)CCC2=C)[nH]1
InChIInChI=1S/C19H27N/c1-7-17-10-14(3)18(20-17)12-15-11-16(19(4,5)6)9-8-13(15)2/h7,10,12,16,20H,1-2,8-9,11H2,3-6H3/b15-12-
InChIKeyRMDXAVFCUZUJBN-QINSGFPZSA-N
XLogP5.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole?
The IUPAC name of 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole (CID 143709170) is 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole.
What is the SMILES notation for 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole?
The canonical SMILES for 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole is C=Cc1cc(C)c(/C=C2/CC(C(C)(C)C)CCC2=C)[nH]1.
What is the InChIKey of 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole?
The InChIKey is RMDXAVFCUZUJBN-QINSGFPZSA-N. The full InChI is InChI=1S/C19H27N/c1-7-17-10-14(3)18(20-17)12-15-11-16(19(4,5)6)9-8-13(15)2/h7,10,12,16,20H,1-2,8-9,11H2,3-6H3/b15-12-.
What are the key properties of 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole?
2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole has a molecular weight of 269.43 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-tert-butyl-2-methylidenecyclohexylidene)methyl]-5-ethenyl-3-methyl-1H-pyrrole is sourced from PubChem (CID 143709170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).