(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole

C12H16N2 — CID 134275552

IUPAC(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole
SMILESCC1=N/C(=C\c2ccc[nH]2)CC1(C)C
InChIInChI=1S/C12H16N2/c1-9-12(2,3)8-11(14-9)7-10-5-4-6-13-10/h4-7,13H,8H2,1-3H3/b11-7-
InChIKeyXHIOMKOPHHITKU-XFFZJAGNSA-N
MW188.27 g/mol
LogP3.25
Rot. Bonds1

About (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole

(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole (PubChem CID 134275552) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole.

Molecular Properties

Compound Name(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole
PubChem CID134275552
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole
SMILESCC1=N/C(=C\c2ccc[nH]2)CC1(C)C
InChIInChI=1S/C12H16N2/c1-9-12(2,3)8-11(14-9)7-10-5-4-6-13-10/h4-7,13H,8H2,1-3H3/b11-7-
InChIKeyXHIOMKOPHHITKU-XFFZJAGNSA-N
XLogP3.25
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde
CID 134275576
(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
CID 11701314
2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
dimethyl(1H-pyrrol-2-ylmethylidene)azanium
CID 12676266
methanamine;1H-pyrrole-2-carbaldehyde
CID 172737516
(4E)-4-(1H-pyrrol-2-ylmethylidene)-3-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-5-one
CID 135723926
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine
CID 141023802
2-(4-tert-butylphenyl)-4-(1H-pyrrol-2-ylmethylidene)-1H-imidazol-5-one
CID 163232697
2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
CID 170388279
(E)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 6520514
(Z)-2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 5471678
molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole?
The IUPAC name of (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole (CID 134275552) is (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole.
What is the SMILES notation for (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole?
The canonical SMILES for (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole is CC1=N/C(=C\c2ccc[nH]2)CC1(C)C.
What is the InChIKey of (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole?
The InChIKey is XHIOMKOPHHITKU-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-12(2,3)8-11(14-9)7-10-5-4-6-13-10/h4-7,13H,8H2,1-3H3/b11-7-.
What are the key properties of (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole?
(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole has a molecular weight of 188.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole is sourced from PubChem (CID 134275552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).