2-pyrrolidin-1-ylpenta-3,4-dienal

C9H13NO — CID 91270778

IUPAC2-pyrrolidin-1-ylpenta-3,4-dienal
SMILESC=C=CC(C=O)N1CCCC1
InChIInChI=1S/C9H13NO/c1-2-5-9(8-11)10-6-3-4-7-10/h5,8-9H,1,3-4,6-7H2
InChIKeyHUFBNNWYELGRKS-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.99
Rot. Bonds3

About 2-pyrrolidin-1-ylpenta-3,4-dienal

2-pyrrolidin-1-ylpenta-3,4-dienal (PubChem CID 91270778) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpenta-3,4-dienal.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpenta-3,4-dienal
PubChem CID91270778
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-pyrrolidin-1-ylpenta-3,4-dienal
SMILESC=C=CC(C=O)N1CCCC1
InChIInChI=1S/C9H13NO/c1-2-5-9(8-11)10-6-3-4-7-10/h5,8-9H,1,3-4,6-7H2
InChIKeyHUFBNNWYELGRKS-UHFFFAOYSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.99
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-ylpenta-3,4-dienal?
The IUPAC name of 2-pyrrolidin-1-ylpenta-3,4-dienal (CID 91270778) is 2-pyrrolidin-1-ylpenta-3,4-dienal.
What is the SMILES notation for 2-pyrrolidin-1-ylpenta-3,4-dienal?
The canonical SMILES for 2-pyrrolidin-1-ylpenta-3,4-dienal is C=C=CC(C=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpenta-3,4-dienal?
The InChIKey is HUFBNNWYELGRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-5-9(8-11)10-6-3-4-7-10/h5,8-9H,1,3-4,6-7H2.
What are the key properties of 2-pyrrolidin-1-ylpenta-3,4-dienal?
2-pyrrolidin-1-ylpenta-3,4-dienal has a molecular weight of 151.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpenta-3,4-dienal is sourced from PubChem (CID 91270778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).