1-cyclopentylpyrrolidine-3-carbaldehyde

C10H17NO — CID 84765314

IUPAC1-cyclopentylpyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(C2CCCC2)C1
InChIInChI=1S/C10H17NO/c12-8-9-5-6-11(7-9)10-3-1-2-4-10/h8-10H,1-7H2
InChIKeyJNPNZSNKGZRGRU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds2

About 1-cyclopentylpyrrolidine-3-carbaldehyde

1-cyclopentylpyrrolidine-3-carbaldehyde (PubChem CID 84765314) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclopentylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentylpyrrolidine-3-carbaldehyde
PubChem CID84765314
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclopentylpyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(C2CCCC2)C1
InChIInChI=1S/C10H17NO/c12-8-9-5-6-11(7-9)10-3-1-2-4-10/h8-10H,1-7H2
InChIKeyJNPNZSNKGZRGRU-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
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

4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde
CID 23088686
N-(1-cyclohexylpyrrolidin-3-yl)formamide
CID 88805980
1-(oxan-4-yl)piperidine-4-carbaldehyde
CID 63937324
1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde
CID 62656809
(3S)-1-cyclopentylpyrrolidin-3-ol
CID 58155463
1-methylpyrrolidine-3-carbaldehyde
CID 19841633
1-cyclopentylpyrrolidine-3-thiol
CID 18792683
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
cyclodecanecarbaldehyde
CID 13240747
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrrolidine-3-carbaldehyde?
The IUPAC name of 1-cyclopentylpyrrolidine-3-carbaldehyde (CID 84765314) is 1-cyclopentylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-cyclopentylpyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-cyclopentylpyrrolidine-3-carbaldehyde is O=CC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentylpyrrolidine-3-carbaldehyde?
The InChIKey is JNPNZSNKGZRGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-9-5-6-11(7-9)10-3-1-2-4-10/h8-10H,1-7H2.
What are the key properties of 1-cyclopentylpyrrolidine-3-carbaldehyde?
1-cyclopentylpyrrolidine-3-carbaldehyde has a molecular weight of 167.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 84765314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).