1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde

C12H19NO2 — CID 146358075

IUPAC1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H19NO2/c14-9-11-7-4-8-13(11)12(15)10-5-2-1-3-6-10/h9-11H,1-8H2
InChIKeyUTOJWXFSMFECSS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds2

About 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde

1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde (PubChem CID 146358075) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
PubChem CID146358075
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H19NO2/c14-9-11-7-4-8-13(11)12(15)10-5-2-1-3-6-10/h9-11H,1-8H2
InChIKeyUTOJWXFSMFECSS-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
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

(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22880971
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]boronic acid
CID 143049707
cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
CID 89308025
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde (CID 146358075) is 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde is O=CC1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde?
The InChIKey is UTOJWXFSMFECSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-11-7-4-8-13(11)12(15)10-5-2-1-3-6-10/h9-11H,1-8H2.
What are the key properties of 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde?
1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde has a molecular weight of 209.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 146358075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).