5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde

C11H14N2O — CID 170604090

IUPAC5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde
SMILESC=Cc1cc(C=O)[nH]c1C(=C)N(C)C
InChIInChI=1S/C11H14N2O/c1-5-9-6-10(7-14)12-11(9)8(2)13(3)4/h5-7,12H,1-2H2,3-4H3
InChIKeyHULVCSQUHJNXPW-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.00
Rot. Bonds4

About 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde

5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde (PubChem CID 170604090) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde
PubChem CID170604090
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde
SMILESC=Cc1cc(C=O)[nH]c1C(=C)N(C)C
InChIInChI=1S/C11H14N2O/c1-5-9-6-10(7-14)12-11(9)8(2)13(3)4/h5-7,12H,1-2H2,3-4H3
InChIKeyHULVCSQUHJNXPW-UHFFFAOYSA-N
XLogP2.00
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde (CID 170604090) is 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde is C=Cc1cc(C=O)[nH]c1C(=C)N(C)C.
What is the InChIKey of 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is HULVCSQUHJNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5-9-6-10(7-14)12-11(9)8(2)13(3)4/h5-7,12H,1-2H2,3-4H3.
What are the key properties of 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde?
5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)ethenyl]-4-ethenyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 170604090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).