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

C14H21NO — CID 64910440

IUPAC1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C1CCC(C)C1C
InChIInChI=1S/C14H21NO/c1-9-5-6-14(11(9)3)15-10(2)7-13(8-16)12(15)4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyNEWOJDQDRPBKDR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.52
Rot. Bonds2

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

1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 64910440) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID64910440
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1C1CCC(C)C1C
InChIInChI=1S/C14H21NO/c1-9-5-6-14(11(9)3)15-10(2)7-13(8-16)12(15)4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyNEWOJDQDRPBKDR-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.52
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-(2-methyloxolan-3-yl)pyrrole-3-carbaldehyde
CID 82729133
1-(2-methoxycyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 62086803
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
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid
CID 6235481
1-(3,5-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 1121681
1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
CID 66882607
2,5-dimethyl-1-(thiolan-2-ylmethyl)pyrrole-3-carbaldehyde
CID 80585438
2,5-dimethyl-1-(2-methylcyclohexyl)pyrrole-3-carboxylic acid
CID 43180347
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
CID 47123773
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 51866191
2,5-dimethyl-1-(4-methylpiperazin-1-yl)pyrrole-3-carbaldehyde
CID 83015464

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 64910440) is 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1C1CCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is NEWOJDQDRPBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-5-6-14(11(9)3)15-10(2)7-13(8-16)12(15)4/h7-9,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 219.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 64910440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).