2-pyrrolidin-1-ylpentanal

C9H17NO — CID 87792679

IUPAC2-pyrrolidin-1-ylpentanal
SMILESCCCC(C=O)N1CCCC1
InChIInChI=1S/C9H17NO/c1-2-5-9(8-11)10-6-3-4-7-10/h8-9H,2-7H2,1H3
InChIKeyUEIUDAARHDZAKR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds4

About 2-pyrrolidin-1-ylpentanal

2-pyrrolidin-1-ylpentanal (PubChem CID 87792679) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpentanal.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpentanal
PubChem CID87792679
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pyrrolidin-1-ylpentanal
SMILESCCCC(C=O)N1CCCC1
InChIInChI=1S/C9H17NO/c1-2-5-9(8-11)10-6-3-4-7-10/h8-9H,2-7H2,1H3
InChIKeyUEIUDAARHDZAKR-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
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-ylpentanal?
The IUPAC name of 2-pyrrolidin-1-ylpentanal (CID 87792679) is 2-pyrrolidin-1-ylpentanal.
What is the SMILES notation for 2-pyrrolidin-1-ylpentanal?
The canonical SMILES for 2-pyrrolidin-1-ylpentanal is CCCC(C=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpentanal?
The InChIKey is UEIUDAARHDZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-9(8-11)10-6-3-4-7-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylpentanal?
2-pyrrolidin-1-ylpentanal has a molecular weight of 155.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpentanal is sourced from PubChem (CID 87792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).