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

C11H19N — CID 23252301

IUPAC(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
SMILESCC1=NC(C)(C)C/C1=C\C(C)C
InChIInChI=1S/C11H19N/c1-8(2)6-10-7-11(4,5)12-9(10)3/h6,8H,7H2,1-5H3/b10-6+
InChIKeyAXCLRJGDQNBCHA-UXBLZVDNSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds1

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

(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole (PubChem CID 23252301) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole.

Molecular Properties

Compound Name(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
PubChem CID23252301
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
SMILESCC1=NC(C)(C)C/C1=C\C(C)C
InChIInChI=1S/C11H19N/c1-8(2)6-10-7-11(4,5)12-9(10)3/h6,8H,7H2,1-5H3/b10-6+
InChIKeyAXCLRJGDQNBCHA-UXBLZVDNSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Isopropenyl-2,2-dimethyl-4-(1-methylethylidene)-3,4-dihydro-2H-pyrrole
CID 244191
(4E)-2,2,5-trimethyl-4-(1-methylpropylidene)-3H-pyrrole
CID 3003771
(4Z)-4-butan-2-ylidene-2,2,5-trimethyl-3H-pyrrole
CID 5356326
5-ethenyl-2,2-dimethyl-4-propan-2-ylidene-3H-pyrrole
CID 12464497
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
N-(1,6-dimethylcyclohex-2-en-1-yl)-2,4-dimethylpent-1-en-3-imine
CID 88234578
2-methyl-4,5-di(propan-2-yl)-2H-pyrrole
CID 89060382
(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
CID 90739607
3-But-1-enyl-2-but-3-enyl-2-ethylazirine
CID 90930197
4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete
CID 91145943

Frequently Asked Questions

What is the IUPAC name of (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole?
The IUPAC name of (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole (CID 23252301) is (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole.
What is the SMILES notation for (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole?
The canonical SMILES for (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole is CC1=NC(C)(C)C/C1=C\C(C)C.
What is the InChIKey of (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole?
The InChIKey is AXCLRJGDQNBCHA-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)6-10-7-11(4,5)12-9(10)3/h6,8H,7H2,1-5H3/b10-6+.
What are the key properties of (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole?
(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole is sourced from PubChem (CID 23252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).