2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde

C14H21NO — CID 107418791

IUPAC2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1CC1CCCC1C
InChIInChI=1S/C14H21NO/c1-10-5-4-6-13(10)8-15-11(2)7-14(9-16)12(15)3/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyLLCSICXPSXRPJW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.35
Rot. Bonds3

About 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde

2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde (PubChem CID 107418791) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde
PubChem CID107418791
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1CC1CCCC1C
InChIInChI=1S/C14H21NO/c1-10-5-4-6-13(10)8-15-11(2)7-14(9-16)12(15)3/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyLLCSICXPSXRPJW-UHFFFAOYSA-N
XLogP3.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.35
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

2,5-dimethyl-1-(thiolan-2-ylmethyl)pyrrole-3-carbaldehyde
CID 80585438
1-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 83015341
2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile
CID 39869824
2,5-dimethyl-1-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
CID 82729133
1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 64910440
3-(3-formyl-2,5-dimethylpyrrol-1-yl)propanamide
CID 43553582
1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 82289311
1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62086803
1-(2,2-dimethylbutyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 103461869
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 23008567
1-[(2-ethylphenyl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 64693629
5-methyl-3-[(2-methylcyclopentyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 107419626

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde (CID 107418791) is 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1CC1CCCC1C.
What is the InChIKey of 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde?
The InChIKey is LLCSICXPSXRPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-4-6-13(10)8-15-11(2)7-14(9-16)12(15)3/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde?
2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde has a molecular weight of 219.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(2-methylcyclopentyl)methyl]pyrrole-3-carbaldehyde is sourced from PubChem (CID 107418791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).