4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole

C11H15N — CID 89154188

IUPAC4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC/C=C\c1[nH]cc(C)c1/C=C\C
InChIInChI=1S/C11H15N/c1-4-6-10-9(3)8-12-11(10)7-5-2/h4-8,12H,1-3H3/b6-4-,7-5-
InChIKeyJJNNBKZHRDTGAZ-PEPZGXQESA-N
MW161.25 g/mol
LogP3.39
Rot. Bonds2

About 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole

4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole (PubChem CID 89154188) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole.

Molecular Properties

Compound Name4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
PubChem CID89154188
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC/C=C\c1[nH]cc(C)c1/C=C\C
InChIInChI=1S/C11H15N/c1-4-6-10-9(3)8-12-11(10)7-5-2/h4-8,12H,1-3H3/b6-4-,7-5-
InChIKeyJJNNBKZHRDTGAZ-PEPZGXQESA-N
XLogP3.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole?
The IUPAC name of 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole (CID 89154188) is 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole.
What is the SMILES notation for 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole?
The canonical SMILES for 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole is C/C=C\c1[nH]cc(C)c1/C=C\C.
What is the InChIKey of 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole?
The InChIKey is JJNNBKZHRDTGAZ-PEPZGXQESA-N. The full InChI is InChI=1S/C11H15N/c1-4-6-10-9(3)8-12-11(10)7-5-2/h4-8,12H,1-3H3/b6-4-,7-5-.
What are the key properties of 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole?
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole has a molecular weight of 161.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole is sourced from PubChem (CID 89154188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).