2H-pyrrole-5-carbaldehyde

C5H5NO — CID 20649083

IUPAC2H-pyrrole-5-carbaldehyde
SMILESO=CC1=NCC=C1
InChIInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-2,4H,3H2
InChIKeyZSNYXJFDOXHPLO-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.20
Rot. Bonds1

About 2H-pyrrole-5-carbaldehyde

2H-pyrrole-5-carbaldehyde (PubChem CID 20649083) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 2H-pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name2H-pyrrole-5-carbaldehyde
PubChem CID20649083
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name2H-pyrrole-5-carbaldehyde
SMILESO=CC1=NCC=C1
InChIInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-2,4H,3H2
InChIKeyZSNYXJFDOXHPLO-UHFFFAOYSA-N
XLogP0.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2H-azepine-7-carbaldehyde
CID 143189920
2H-pyrrole-2-carbaldehyde
CID 20243583
2-Methylpyrrole-2-carbaldehyde
CID 57115552
2,3-Dihydropyridine-6-carbaldehyde
CID 89091504
(Z)-2-methyliminopent-3-enal
CID 89534309
2-Ethyliminohex-3-enal
CID 91525888
2H-azepine-7-carbaldehyde
CID 91805301
3,4-dihydro-2H-azepine-7-carbaldehyde
CID 123669536
2-[[(Z)-pent-3-en-2-ylidene]amino]propanal
CID 123822724
3-methyl-2H-pyrrole-5-carbaldehyde
CID 125281156
(Z)-2-methyliminohex-3-enal
CID 143097523
(Z)-2-ethyliminohex-3-enal
CID 143817160

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrole-5-carbaldehyde?
The IUPAC name of 2H-pyrrole-5-carbaldehyde (CID 20649083) is 2H-pyrrole-5-carbaldehyde.
What is the SMILES notation for 2H-pyrrole-5-carbaldehyde?
The canonical SMILES for 2H-pyrrole-5-carbaldehyde is O=CC1=NCC=C1.
What is the InChIKey of 2H-pyrrole-5-carbaldehyde?
The InChIKey is ZSNYXJFDOXHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-2,4H,3H2.
What are the key properties of 2H-pyrrole-5-carbaldehyde?
2H-pyrrole-5-carbaldehyde has a molecular weight of 95.10 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrole-5-carbaldehyde is sourced from PubChem (CID 20649083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).