1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde

C14H14N2O — CID 91672164

IUPAC1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde
SMILESCc1c(C=O)cc(-c2cccnc2)n1C1CC1
InChIInChI=1S/C14H14N2O/c1-10-12(9-17)7-14(16(10)13-4-5-13)11-3-2-6-15-8-11/h2-3,6-9,13H,4-5H2,1H3
InChIKeyDWLADBWMBDISDZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.01
Rot. Bonds3

About 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde

1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde (PubChem CID 91672164) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde
PubChem CID91672164
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde
SMILESCc1c(C=O)cc(-c2cccnc2)n1C1CC1
InChIInChI=1S/C14H14N2O/c1-10-12(9-17)7-14(16(10)13-4-5-13)11-3-2-6-15-8-11/h2-3,6-9,13H,4-5H2,1H3
InChIKeyDWLADBWMBDISDZ-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde (CID 91672164) is 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde is Cc1c(C=O)cc(-c2cccnc2)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde?
The InChIKey is DWLADBWMBDISDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-12(9-17)7-14(16(10)13-4-5-13)11-3-2-6-15-8-11/h2-3,6-9,13H,4-5H2,1H3.
What are the key properties of 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde?
1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde is sourced from PubChem (CID 91672164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).