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

C12H17N — CID 156554069

IUPAC2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(C)c(/C=C\C)c(C)n1C
InChIInChI=1S/C12H17N/c1-6-8-11-9(3)12(7-2)13(5)10(11)4/h6-8H,2H2,1,3-5H3/b8-6-
InChIKeyMWHMMOMPZYHVDV-VURMDHGXSA-N
MW175.27 g/mol
LogP3.32
Rot. Bonds2

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

2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole (PubChem CID 156554069) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole
PubChem CID156554069
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(C)c(/C=C\C)c(C)n1C
InChIInChI=1S/C12H17N/c1-6-8-11-9(3)12(7-2)13(5)10(11)4/h6-8H,2H2,1,3-5H3/b8-6-
InChIKeyMWHMMOMPZYHVDV-VURMDHGXSA-N
XLogP3.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole?
The IUPAC name of 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole (CID 156554069) is 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole.
What is the SMILES notation for 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole?
The canonical SMILES for 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole is C=Cc1c(C)c(/C=C\C)c(C)n1C.
What is the InChIKey of 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole?
The InChIKey is MWHMMOMPZYHVDV-VURMDHGXSA-N. The full InChI is InChI=1S/C12H17N/c1-6-8-11-9(3)12(7-2)13(5)10(11)4/h6-8H,2H2,1,3-5H3/b8-6-.
What are the key properties of 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole?
2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole has a molecular weight of 175.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,5-trimethyl-4-[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 156554069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).