4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde

C11H19NO — CID 23088686

IUPAC4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde
SMILESO=CC1CCC(N2CCCC2)CC1
InChIInChI=1S/C11H19NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h9-11H,1-8H2
InChIKeyNCRWWFWKQFRWGR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde

4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde (PubChem CID 23088686) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde
PubChem CID23088686
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde
SMILESO=CC1CCC(N2CCCC2)CC1
InChIInChI=1S/C11H19NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h9-11H,1-8H2
InChIKeyNCRWWFWKQFRWGR-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
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 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde (CID 23088686) is 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde is O=CC1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde?
The InChIKey is NCRWWFWKQFRWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h9-11H,1-8H2.
What are the key properties of 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde?
4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 23088686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).