(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole

C11H19N — CID 10702203

IUPAC(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole
SMILESCC/C(C)=C1\CC(C)(C)C(C)=N1
InChIInChI=1S/C11H19N/c1-6-8(2)10-7-11(4,5)9(3)12-10/h6-7H2,1-5H3/b10-8+
InChIKeyUDYSIJAXYSZWPX-CSKARUKUSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds1

About (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole

(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole (PubChem CID 10702203) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole
PubChem CID10702203
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole
SMILESCC/C(C)=C1\CC(C)(C)C(C)=N1
InChIInChI=1S/C11H19N/c1-6-8(2)10-7-11(4,5)9(3)12-10/h6-7H2,1-5H3/b10-8+
InChIKeyUDYSIJAXYSZWPX-CSKARUKUSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-2-[1-(3,4-dimethyl-1H-pyrrol-2-yl)undecylidene]-4,4,5-trimethyl-3H-pyrrole
CID 11559491
2-butan-2-ylidene-5,5-dimethylcyclohexane-1,3-dione
CID 89184950
2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one
CID 141140787
(2E)-2-butan-2-ylidene-1,1,3-trimethylcyclohexane
CID 174822261
2-hydroxy-5,5,6-trimethyl-4H-pyridazin-3-one
CID 141343843
tert-butyl 5-[(1Z)-1-(5-formyl-4,4-dimethyl-3H-pyrrol-2-ylidene)ethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
CID 164677307
5-ethoxycarbonyl-5-methyl-1,4-dihydropyrazole-3-carboxylic acid
CID 149159712
(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
CID 11701314
(5S)-3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 71351524
3-ethoxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 59913073
1,2,3,3-tetramethyl-5-propan-2-ylidenecyclopentene
CID 21018111
ethyl 2-[(3aR,6aS)-3a,6a-dimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ylidene]propanoate
CID 147643757

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole?
The IUPAC name of (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole (CID 10702203) is (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole.
What is the SMILES notation for (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole?
The canonical SMILES for (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole is CC/C(C)=C1\CC(C)(C)C(C)=N1.
What is the InChIKey of (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole?
The InChIKey is UDYSIJAXYSZWPX-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8(2)10-7-11(4,5)9(3)12-10/h6-7H2,1-5H3/b10-8+.
What are the key properties of (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole?
(2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-4,4,5-trimethyl-3H-pyrrole is sourced from PubChem (CID 10702203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).