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

C12H18N2 — CID 89220335

IUPAC(5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole
SMILESCC1=N/C(=C\C2CC=CN2)C(C)(C)C1
InChIInChI=1S/C12H18N2/c1-9-8-12(2,3)11(14-9)7-10-5-4-6-13-10/h4,6-7,10,13H,5,8H2,1-3H3/b11-7-
InChIKeyYFBAKUHTWMIDPH-XFFZJAGNSA-N
MW190.29 g/mol
LogP2.64
Rot. Bonds1

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

(5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole (PubChem CID 89220335) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole.

Molecular Properties

Compound Name(5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole
PubChem CID89220335
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole
SMILESCC1=N/C(=C\C2CC=CN2)C(C)(C)C1
InChIInChI=1S/C12H18N2/c1-9-8-12(2,3)11(14-9)7-10-5-4-6-13-10/h4,6-7,10,13H,5,8H2,1-3H3/b11-7-
InChIKeyYFBAKUHTWMIDPH-XFFZJAGNSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole?
The IUPAC name of (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole (CID 89220335) is (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole.
What is the SMILES notation for (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole?
The canonical SMILES for (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole is CC1=N/C(=C\C2CC=CN2)C(C)(C)C1.
What is the InChIKey of (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole?
The InChIKey is YFBAKUHTWMIDPH-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-8-12(2,3)11(14-9)7-10-5-4-6-13-10/h4,6-7,10,13H,5,8H2,1-3H3/b11-7-.
What are the key properties of (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole?
(5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole has a molecular weight of 190.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,3-dihydro-1H-pyrrol-2-ylmethylidene)-2,4,4-trimethyl-3H-pyrrole is sourced from PubChem (CID 89220335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).