(2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine

C11H16N2 — CID 143500256

IUPAC(2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine
SMILES[H]/N=C\C=c1\[nH]cc\c1=C\C(C)(C)C
InChIInChI=1S/C11H16N2/c1-11(2,3)8-9-5-7-13-10(9)4-6-12/h4-8,12-13H,1-3H3/b9-8-,10-4+,12-6-
InChIKeyUGNBMYWLJAAVJJ-WMGRHIDPSA-N
MW176.26 g/mol
LogP1.27
Rot. Bonds1

About (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine

(2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine (PubChem CID 143500256) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine.

Molecular Properties

Compound Name(2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine
PubChem CID143500256
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine
SMILES[H]/N=C\C=c1\[nH]cc\c1=C\C(C)(C)C
InChIInChI=1S/C11H16N2/c1-11(2,3)8-9-5-7-13-10(9)4-6-12/h4-8,12-13H,1-3H3/b9-8-,10-4+,12-6-
InChIKeyUGNBMYWLJAAVJJ-WMGRHIDPSA-N
XLogP1.27
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine?
The IUPAC name of (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine (CID 143500256) is (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine.
What is the SMILES notation for (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine?
The canonical SMILES for (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine is [H]/N=C\C=c1\[nH]cc\c1=C\C(C)(C)C.
What is the InChIKey of (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine?
The InChIKey is UGNBMYWLJAAVJJ-WMGRHIDPSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)8-9-5-7-13-10(9)4-6-12/h4-8,12-13H,1-3H3/b9-8-,10-4+,12-6-.
What are the key properties of (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine?
(2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine has a molecular weight of 176.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3Z)-3-(2,2-dimethylpropylidene)-1H-pyrrol-2-ylidene]ethanimine is sourced from PubChem (CID 143500256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).