1-hexa-1,3-dienylpyrrolidine

C10H17N — CID 54358934

IUPAC1-hexa-1,3-dienylpyrrolidine
SMILESCCC=CC=CN1CCCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h3-5,8H,2,6-7,9-10H2,1H3
InChIKeyDFYNAUANRWOXGS-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds3

About 1-hexa-1,3-dienylpyrrolidine

1-hexa-1,3-dienylpyrrolidine (PubChem CID 54358934) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-hexa-1,3-dienylpyrrolidine.

Molecular Properties

Compound Name1-hexa-1,3-dienylpyrrolidine
PubChem CID54358934
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-hexa-1,3-dienylpyrrolidine
SMILESCCC=CC=CN1CCCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h3-5,8H,2,6-7,9-10H2,1H3
InChIKeyDFYNAUANRWOXGS-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,3-dienylpyrrolidine?
The IUPAC name of 1-hexa-1,3-dienylpyrrolidine (CID 54358934) is 1-hexa-1,3-dienylpyrrolidine.
What is the SMILES notation for 1-hexa-1,3-dienylpyrrolidine?
The canonical SMILES for 1-hexa-1,3-dienylpyrrolidine is CCC=CC=CN1CCCC1.
What is the InChIKey of 1-hexa-1,3-dienylpyrrolidine?
The InChIKey is DFYNAUANRWOXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h3-5,8H,2,6-7,9-10H2,1H3.
What are the key properties of 1-hexa-1,3-dienylpyrrolidine?
1-hexa-1,3-dienylpyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,3-dienylpyrrolidine is sourced from PubChem (CID 54358934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).