1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole

C11H15N — CID 144533587

IUPAC1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole
SMILESC=C/C(C)=C\c1ccn(C)c1C
InChIInChI=1S/C11H15N/c1-5-9(2)8-11-6-7-12(4)10(11)3/h5-8H,1H2,2-4H3/b9-8-
InChIKeyFJONVTZKFNEXDN-HJWRWDBZSA-N
MW161.25 g/mol
LogP2.92
Rot. Bonds2

About 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole

1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole (PubChem CID 144533587) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole.

Molecular Properties

Compound Name1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole
PubChem CID144533587
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole
SMILESC=C/C(C)=C\c1ccn(C)c1C
InChIInChI=1S/C11H15N/c1-5-9(2)8-11-6-7-12(4)10(11)3/h5-8H,1H2,2-4H3/b9-8-
InChIKeyFJONVTZKFNEXDN-HJWRWDBZSA-N
XLogP2.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(ethenyl)-1-methylpyrrole
CID 66833587
1,3-dimethyl-2-[(1E)-2-methylsulfanylbuta-1,3-dienyl]pyrrole
CID 155374256
5-(4-fluorophenyl)-2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrrole
CID 144654626
1,2,4-trimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]imidazole
CID 89150454
4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole
CID 162433199
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide
CID 130670164
N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide
CID 123666520
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
3-hydroxy-1,2-dimethylpyridin-4-one
CID 2972
3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
CID 142079801
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-2,5-dimethylidenepyrrole
CID 130374274

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole?
The IUPAC name of 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole (CID 144533587) is 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole.
What is the SMILES notation for 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole?
The canonical SMILES for 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole is C=C/C(C)=C\c1ccn(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole?
The InChIKey is FJONVTZKFNEXDN-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H15N/c1-5-9(2)8-11-6-7-12(4)10(11)3/h5-8H,1H2,2-4H3/b9-8-.
What are the key properties of 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole?
1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(1Z)-2-methylbuta-1,3-dienyl]pyrrole is sourced from PubChem (CID 144533587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).