1-cyclobutylpyrrole-3-carbaldehyde

C9H11NO — CID 155977953

IUPAC1-cyclobutylpyrrole-3-carbaldehyde
SMILESO=Cc1ccn(C2CCC2)c1
InChIInChI=1S/C9H11NO/c11-7-8-4-5-10(6-8)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyFJVRNXFGZDVIBO-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.03
Rot. Bonds2

About 1-cyclobutylpyrrole-3-carbaldehyde

1-cyclobutylpyrrole-3-carbaldehyde (PubChem CID 155977953) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-cyclobutylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclobutylpyrrole-3-carbaldehyde
PubChem CID155977953
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-cyclobutylpyrrole-3-carbaldehyde
SMILESO=Cc1ccn(C2CCC2)c1
InChIInChI=1S/C9H11NO/c11-7-8-4-5-10(6-8)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyFJVRNXFGZDVIBO-UHFFFAOYSA-N
XLogP2.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
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 1-cyclobutylpyrrole-3-carbaldehyde?
The IUPAC name of 1-cyclobutylpyrrole-3-carbaldehyde (CID 155977953) is 1-cyclobutylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-cyclobutylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-cyclobutylpyrrole-3-carbaldehyde is O=Cc1ccn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrrole-3-carbaldehyde?
The InChIKey is FJVRNXFGZDVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-7-8-4-5-10(6-8)9-2-1-3-9/h4-7,9H,1-3H2.
What are the key properties of 1-cyclobutylpyrrole-3-carbaldehyde?
1-cyclobutylpyrrole-3-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrrole-3-carbaldehyde is sourced from PubChem (CID 155977953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).