5-cyclopentyl-1H-pyrrole-2-carbaldehyde

C10H13NO — CID 82415107

IUPAC5-cyclopentyl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C2CCCC2)[nH]1
InChIInChI=1S/C10H13NO/c12-7-9-5-6-10(11-9)8-3-1-2-4-8/h5-8,11H,1-4H2
InChIKeyPVHDARHBCJZMIC-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.48
Rot. Bonds2

About 5-cyclopentyl-1H-pyrrole-2-carbaldehyde

5-cyclopentyl-1H-pyrrole-2-carbaldehyde (PubChem CID 82415107) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-cyclopentyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-cyclopentyl-1H-pyrrole-2-carbaldehyde
PubChem CID82415107
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-cyclopentyl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C2CCCC2)[nH]1
InChIInChI=1S/C10H13NO/c12-7-9-5-6-10(11-9)8-3-1-2-4-8/h5-8,11H,1-4H2
InChIKeyPVHDARHBCJZMIC-UHFFFAOYSA-N
XLogP2.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(oxan-3-yl)-1H-pyrrole-2-carbaldehyde
CID 82409581
5-[(2R,4aR)-7-(5-formyl-1H-pyrrol-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-2-yl]-1H-pyrrole-2-carbaldehyde
CID 92844023
2-cyclodecylbenzaldehyde
CID 142358507
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
2-chloro-5-cyclopropyl-1H-pyrrole
CID 175083883
3-cyclopentylpyridine-4-carbaldehyde
CID 82411124
4-cycloheptyl-1,3-dihydroimidazol-2-one
CID 105438957
4-cycloheptyl-3H-1,3-oxazol-2-one
CID 105439472
2-cyclononyl-1H-pyrrole
CID 173176738
2-cyclotetradecyl-1H-pyrrole
CID 173176326
5-(benzenesulfinyl)-1H-pyrrole-2-carbaldehyde
CID 102456681

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-cyclopentyl-1H-pyrrole-2-carbaldehyde (CID 82415107) is 5-cyclopentyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-cyclopentyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-cyclopentyl-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(C2CCCC2)[nH]1.
What is the InChIKey of 5-cyclopentyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is PVHDARHBCJZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-7-9-5-6-10(11-9)8-3-1-2-4-8/h5-8,11H,1-4H2.
What are the key properties of 5-cyclopentyl-1H-pyrrole-2-carbaldehyde?
5-cyclopentyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 82415107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).