(2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine

C10H14N2 — CID 143818470

IUPAC(2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine
SMILESC/C=c1\cc[nH]\c1=C(C)\C=N\C
InChIInChI=1S/C10H14N2/c1-4-9-5-6-12-10(9)8(2)7-11-3/h4-7,12H,1-3H3/b9-4+,10-8+,11-7+
InChIKeyFMOMNFYZTMJDAO-RODRHFFJSA-N
MW162.24 g/mol
LogP0.69
Rot. Bonds1

About (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine

(2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine (PubChem CID 143818470) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine.

Molecular Properties

Compound Name(2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine
PubChem CID143818470
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine
SMILESC/C=c1\cc[nH]\c1=C(C)\C=N\C
InChIInChI=1S/C10H14N2/c1-4-9-5-6-12-10(9)8(2)7-11-3/h4-7,12H,1-3H3/b9-4+,10-8+,11-7+
InChIKeyFMOMNFYZTMJDAO-RODRHFFJSA-N
XLogP0.69
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
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-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine?
The IUPAC name of (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine (CID 143818470) is (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine.
What is the SMILES notation for (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine?
The canonical SMILES for (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine is C/C=c1\cc[nH]\c1=C(C)\C=N\C.
What is the InChIKey of (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine?
The InChIKey is FMOMNFYZTMJDAO-RODRHFFJSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9-5-6-12-10(9)8(2)7-11-3/h4-7,12H,1-3H3/b9-4+,10-8+,11-7+.
What are the key properties of (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine?
(2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine has a molecular weight of 162.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3E)-3-ethylidene-1H-pyrrol-2-ylidene]-N-methylpropan-1-imine is sourced from PubChem (CID 143818470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).