2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde

C10H17NO — CID 59356655

IUPAC2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde
SMILESO=CC1CCCC1N1CCCC1
InChIInChI=1S/C10H17NO/c12-8-9-4-3-5-10(9)11-6-1-2-7-11/h8-10H,1-7H2
InChIKeyKFKGMDQQNJPBMG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds2

About 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde

2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde (PubChem CID 59356655) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde
PubChem CID59356655
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde
SMILESO=CC1CCCC1N1CCCC1
InChIInChI=1S/C10H17NO/c12-8-9-4-3-5-10(9)11-6-1-2-7-11/h8-10H,1-7H2
InChIKeyKFKGMDQQNJPBMG-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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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde?
The IUPAC name of 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde (CID 59356655) is 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde?
The canonical SMILES for 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde is O=CC1CCCC1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde?
The InChIKey is KFKGMDQQNJPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-9-4-3-5-10(9)11-6-1-2-7-11/h8-10H,1-7H2.
What are the key properties of 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde?
2-pyrrolidin-1-ylcyclopentane-1-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 2-pyrrolidin-1-ylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 59356655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).