2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole

C13H17N — CID 156568565

IUPAC2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(C)c(/C=C\C)c(C=C)n1C
InChIInChI=1S/C13H17N/c1-6-9-11-10(4)12(7-2)14(5)13(11)8-3/h6-9H,2-3H2,1,4-5H3/b9-6-
InChIKeyKCGCEIMPKJMSDG-TWGQIWQCSA-N
MW187.29 g/mol
LogP3.65
Rot. Bonds3

About 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole

2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole (PubChem CID 156568565) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole
PubChem CID156568565
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(C)c(/C=C\C)c(C=C)n1C
InChIInChI=1S/C13H17N/c1-6-9-11-10(4)12(7-2)14(5)13(11)8-3/h6-9H,2-3H2,1,4-5H3/b9-6-
InChIKeyKCGCEIMPKJMSDG-TWGQIWQCSA-N
XLogP3.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole?
The IUPAC name of 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole (CID 156568565) is 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole.
What is the SMILES notation for 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole?
The canonical SMILES for 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole is C=Cc1c(C)c(/C=C\C)c(C=C)n1C.
What is the InChIKey of 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole?
The InChIKey is KCGCEIMPKJMSDG-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H17N/c1-6-9-11-10(4)12(7-2)14(5)13(11)8-3/h6-9H,2-3H2,1,4-5H3/b9-6-.
What are the key properties of 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole?
2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-1,3-dimethyl-4-[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 156568565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).