4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde

C11H16N2O — CID 86650825

IUPAC4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(CCN2CCCC2)c[nH]1
InChIInChI=1S/C11H16N2O/c14-9-11-7-10(8-12-11)3-6-13-4-1-2-5-13/h7-9,12H,1-6H2
InChIKeyLNXIKRNYARPGAH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.47
Rot. Bonds4

About 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde

4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 86650825) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde
PubChem CID86650825
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(CCN2CCCC2)c[nH]1
InChIInChI=1S/C11H16N2O/c14-9-11-7-10(8-12-11)3-6-13-4-1-2-5-13/h7-9,12H,1-6H2
InChIKeyLNXIKRNYARPGAH-UHFFFAOYSA-N
XLogP1.47
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.47
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 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde (CID 86650825) is 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde is O=Cc1cc(CCN2CCCC2)c[nH]1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is LNXIKRNYARPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-9-11-7-10(8-12-11)3-6-13-4-1-2-5-13/h7-9,12H,1-6H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde?
4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 86650825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).