1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde

C13H19NO2 — CID 62086803

IUPAC1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOC1CCCC1n1c(C)cc(C=O)c1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(8-15)10(2)14(9)12-5-4-6-13(12)16-3/h7-8,12-13H,4-6H2,1-3H3
InChIKeyNKYBLXOFYKIABA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 62086803) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID62086803
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOC1CCCC1n1c(C)cc(C=O)c1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(8-15)10(2)14(9)12-5-4-6-13(12)16-3/h7-8,12-13H,4-6H2,1-3H3
InChIKeyNKYBLXOFYKIABA-UHFFFAOYSA-N
XLogP2.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 64910440
2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
CID 82729133
1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 83015341
2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde
CID 107418791
1-(2-methoxycyclopentyl)pyrrole-2,5-dione
CID 18439075
4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid
CID 114207477
7-(2-methoxycyclopentyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 62088791
2,5-dimethyl-1-(thiolan-2-ylmethyl)pyrrole-3-carbaldehyde
CID 80585438
1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
CID 62086320
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde
CID 91672164
2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole
CID 62087569

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 62086803) is 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde is COC1CCCC1n1c(C)cc(C=O)c1C.
What is the InChIKey of 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is NKYBLXOFYKIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-11(8-15)10(2)14(9)12-5-4-6-13(12)16-3/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 62086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).