(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole

C14H20N2 — CID 11701314

IUPAC(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
SMILESCC1=N/C(=C/c2[nH]cc(C)c2C)CC1(C)C
InChIInChI=1S/C14H20N2/c1-9-8-15-13(10(9)2)6-12-7-14(4,5)11(3)16-12/h6,8,15H,7H2,1-5H3/b12-6+
InChIKeyIEMWWYXSOHDSBT-WUXMJOGZSA-N
MW216.33 g/mol
LogP3.86
Rot. Bonds1

About (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole

(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole (PubChem CID 11701314) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole.

Molecular Properties

Compound Name(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
PubChem CID11701314
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
SMILESCC1=N/C(=C/c2[nH]cc(C)c2C)CC1(C)C
InChIInChI=1S/C14H20N2/c1-9-8-15-13(10(9)2)6-12-7-14(4,5)11(3)16-12/h6,8,15H,7H2,1-5H3/b12-6+
InChIKeyIEMWWYXSOHDSBT-WUXMJOGZSA-N
XLogP3.86
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole?
The IUPAC name of (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole (CID 11701314) is (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole.
What is the SMILES notation for (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole?
The canonical SMILES for (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole is CC1=N/C(=C/c2[nH]cc(C)c2C)CC1(C)C.
What is the InChIKey of (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole?
The InChIKey is IEMWWYXSOHDSBT-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-8-15-13(10(9)2)6-12-7-14(4,5)11(3)16-12/h6,8,15H,7H2,1-5H3/b12-6+.
What are the key properties of (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole?
(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole has a molecular weight of 216.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole is sourced from PubChem (CID 11701314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).