5-but-1-enoxy-2,3-dihydro-1H-pyrrole

C8H13NO — CID 141242683

IUPAC5-but-1-enoxy-2,3-dihydro-1H-pyrrole
SMILESCCC=COC1=CCCN1
InChIInChI=1S/C8H13NO/c1-2-3-7-10-8-5-4-6-9-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyIEAIGIHGLVVRHK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.76
Rot. Bonds3

About 5-but-1-enoxy-2,3-dihydro-1H-pyrrole

5-but-1-enoxy-2,3-dihydro-1H-pyrrole (PubChem CID 141242683) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-but-1-enoxy-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-but-1-enoxy-2,3-dihydro-1H-pyrrole
PubChem CID141242683
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-but-1-enoxy-2,3-dihydro-1H-pyrrole
SMILESCCC=COC1=CCCN1
InChIInChI=1S/C8H13NO/c1-2-3-7-10-8-5-4-6-9-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyIEAIGIHGLVVRHK-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Methoxypyrroline
CID 12761828
2,3,4,5-Tetrahydro-1,3-oxazepine
CID 21487479
5-Vinyloxypyrroline
CID 169502612
2-Ethoxypyrroline
CID 15426392
2-Propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine
CID 18316425
4-Ethyl-2,3-dihydro-1,3-oxazole
CID 21274303
N-methyl-2,3-dihydrofuran-2-amine
CID 54454585
N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
CID 57163783
2-methoxy-2,3-dihydro-1H-pyrrole
CID 70439263
N-propyl-4H-pyran-3-amine
CID 90926963
N-butyl-4H-pyran-3-amine
CID 91198593
N-ethyl-4H-pyran-3-amine
CID 91463832

Frequently Asked Questions

What is the IUPAC name of 5-but-1-enoxy-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-but-1-enoxy-2,3-dihydro-1H-pyrrole (CID 141242683) is 5-but-1-enoxy-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-but-1-enoxy-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-but-1-enoxy-2,3-dihydro-1H-pyrrole is CCC=COC1=CCCN1.
What is the InChIKey of 5-but-1-enoxy-2,3-dihydro-1H-pyrrole?
The InChIKey is IEAIGIHGLVVRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-7-10-8-5-4-6-9-8/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of 5-but-1-enoxy-2,3-dihydro-1H-pyrrole?
5-but-1-enoxy-2,3-dihydro-1H-pyrrole has a molecular weight of 139.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-enoxy-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141242683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).