3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde

C12H11N3O — CID 138748384

IUPAC3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde
SMILESO=CC1=CC(n2ccc3cncnc32)CC1
InChIInChI=1S/C12H11N3O/c16-7-9-1-2-11(5-9)15-4-3-10-6-13-8-14-12(10)15/h3-8,11H,1-2H2
InChIKeyUIMCWRZSLPLHFR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.89
Rot. Bonds2

About 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde

3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde (PubChem CID 138748384) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde
PubChem CID138748384
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde
SMILESO=CC1=CC(n2ccc3cncnc32)CC1
InChIInChI=1S/C12H11N3O/c16-7-9-1-2-11(5-9)15-4-3-10-6-13-8-14-12(10)15/h3-8,11H,1-2H2
InChIKeyUIMCWRZSLPLHFR-UHFFFAOYSA-N
XLogP1.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(3R,4S)-4-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorocyclohexan-1-one
CID 177909548
trans-(3R,4R)-4-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorocyclohexan-1-one
CID 177909837
4-(2-Chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-fluorocyclohexan-1-one
CID 178081154
2-[(1S,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]acetaldehyde
CID 89339404
7-Cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 91170837
3-(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1-carbaldehyde
CID 134417031
3-(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentene-1-carbaldehyde
CID 138748123
1-[3-(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-methylcyclopenten-1-yl]ethanone
CID 138748245
1-[3-(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethanone
CID 138748308
(E)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-methylhex-2-enal
CID 138748327
3-(2-Chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentene-1-carbaldehyde
CID 138748387
(E)-2-methyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)hex-2-enal
CID 138748391

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde?
The IUPAC name of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde (CID 138748384) is 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde.
What is the SMILES notation for 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde?
The canonical SMILES for 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde is O=CC1=CC(n2ccc3cncnc32)CC1.
What is the InChIKey of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde?
The InChIKey is UIMCWRZSLPLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-7-9-1-2-11(5-9)15-4-3-10-6-13-8-14-12(10)15/h3-8,11H,1-2H2.
What are the key properties of 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde?
3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[2,3-d]pyrimidin-7-ylcyclopentene-1-carbaldehyde is sourced from PubChem (CID 138748384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).