2-butoxy-2,5-dihydro-1H-pyrrole

C8H15NO — CID 67897815

IUPAC2-butoxy-2,5-dihydro-1H-pyrrole
SMILESCCCCOC1C=CCN1
InChIInChI=1S/C8H15NO/c1-2-3-7-10-8-5-4-6-9-8/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMAUCVXGTFFYZGR-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds4

About 2-butoxy-2,5-dihydro-1H-pyrrole

2-butoxy-2,5-dihydro-1H-pyrrole (PubChem CID 67897815) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-butoxy-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-butoxy-2,5-dihydro-1H-pyrrole
PubChem CID67897815
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-butoxy-2,5-dihydro-1H-pyrrole
SMILESCCCCOC1C=CCN1
InChIInChI=1S/C8H15NO/c1-2-3-7-10-8-5-4-6-9-8/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMAUCVXGTFFYZGR-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(4R)-4-ethyl-2-[(E)-prop-1-enyl]-1,3-oxazolidine
CID 10678340
1-ethoxy-N-ethylprop-2-en-1-amine
CID 18714630
2-[(E)-prop-1-enyl]-1,3-oxazolidine
CID 20379785
N-ethyl-4-methoxybut-2-en-1-amine
CID 54229708
4-methoxy-N-(4-methoxybut-2-enyl)but-2-en-1-amine
CID 54470131
4-ethoxy-N-methylbut-2-en-1-amine
CID 54528970
(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine
CID 57436593
(E)-4-ethoxy-N-methylbut-2-en-1-amine
CID 57436604
2,3,4,7-Tetrahydro-1,3-oxazepine
CID 58550605
2-methoxy-2,5-dihydro-1H-pyrrole
CID 58975955
(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine
CID 59007331
2-propan-2-yloxy-2,5-dihydro-1H-pyrrole
CID 67897713

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-butoxy-2,5-dihydro-1H-pyrrole (CID 67897815) is 2-butoxy-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-butoxy-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-butoxy-2,5-dihydro-1H-pyrrole is CCCCOC1C=CCN1.
What is the InChIKey of 2-butoxy-2,5-dihydro-1H-pyrrole?
The InChIKey is MAUCVXGTFFYZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-7-10-8-5-4-6-9-8/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-butoxy-2,5-dihydro-1H-pyrrole?
2-butoxy-2,5-dihydro-1H-pyrrole has a molecular weight of 141.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 67897815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).