1-hex-5-enyl-2,3-dihydropyrrole

C10H17N — CID 57069013

IUPAC1-hex-5-enyl-2,3-dihydropyrrole
SMILESC=CCCCCN1C=CCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h2,6,9H,1,3-5,7-8,10H2
InChIKeyAGEAQASHRAFOAB-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds5

About 1-hex-5-enyl-2,3-dihydropyrrole

1-hex-5-enyl-2,3-dihydropyrrole (PubChem CID 57069013) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-hex-5-enyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-hex-5-enyl-2,3-dihydropyrrole
PubChem CID57069013
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-hex-5-enyl-2,3-dihydropyrrole
SMILESC=CCCCCN1C=CCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h2,6,9H,1,3-5,7-8,10H2
InChIKeyAGEAQASHRAFOAB-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;1-pentyl-2,3-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enyl-2,3-dihydropyrrole?
The IUPAC name of 1-hex-5-enyl-2,3-dihydropyrrole (CID 57069013) is 1-hex-5-enyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-hex-5-enyl-2,3-dihydropyrrole?
The canonical SMILES for 1-hex-5-enyl-2,3-dihydropyrrole is C=CCCCCN1C=CCC1.
What is the InChIKey of 1-hex-5-enyl-2,3-dihydropyrrole?
The InChIKey is AGEAQASHRAFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h2,6,9H,1,3-5,7-8,10H2.
What are the key properties of 1-hex-5-enyl-2,3-dihydropyrrole?
1-hex-5-enyl-2,3-dihydropyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enyl-2,3-dihydropyrrole is sourced from PubChem (CID 57069013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).