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

C13H17N — CID 171836951

IUPAC4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole
SMILESC=CC1=C(C=C)C(C)(C)C(/C=C/C)=N1
InChIInChI=1S/C13H17N/c1-6-9-12-13(4,5)10(7-2)11(8-3)14-12/h6-9H,2-3H2,1,4-5H3/b9-6+
InChIKeyRDAUAISCJFPXEI-RMKNXTFCSA-N
MW187.29 g/mol
LogP3.67
Rot. Bonds3

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

4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole (PubChem CID 171836951) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole
PubChem CID171836951
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole
SMILESC=CC1=C(C=C)C(C)(C)C(/C=C/C)=N1
InChIInChI=1S/C13H17N/c1-6-9-12-13(4,5)10(7-2)11(8-3)14-12/h6-9H,2-3H2,1,4-5H3/b9-6+
InChIKeyRDAUAISCJFPXEI-RMKNXTFCSA-N
XLogP3.67
TPSA12.36 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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3,3,5-trimethyl-2-[(E)-prop-1-enyl]cyclohepta[b]pyrrole
CID 142292207
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CID 129845376
2-Tert-butylcyclopenta[b]pyrrole
CID 17855881
2,2,3-Trimethylcarbazole
CID 21880529
3,4,4-Trimethylcarbazole
CID 22250977
(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole
CID 58157107
potassium 2,3,3-trimethyl-5H-indol-5-ide
CID 58220092
sodium 2,3,3-trimethyl-5H-indol-5-ide
CID 58567027
2-tert-butyl-4H-indole
CID 67269557
3-Tert-butyl-2,5-dimethylcyclopenta[b]pyrrole
CID 69787590
2-(4-Prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
CID 70231593
2-ethenyl-3,3-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]pyrrole
CID 87093577

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole?
The IUPAC name of 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole (CID 171836951) is 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole.
What is the SMILES notation for 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole?
The canonical SMILES for 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole is C=CC1=C(C=C)C(C)(C)C(/C=C/C)=N1.
What is the InChIKey of 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole?
The InChIKey is RDAUAISCJFPXEI-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H17N/c1-6-9-12-13(4,5)10(7-2)11(8-3)14-12/h6-9H,2-3H2,1,4-5H3/b9-6+.
What are the key properties of 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole?
4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3,3-dimethyl-2-[(E)-prop-1-enyl]pyrrole is sourced from PubChem (CID 171836951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).