3-(methoxymethyl)-2,5-dihydro-1H-pyrrole

C6H11NO — CID 105427014

IUPAC3-(methoxymethyl)-2,5-dihydro-1H-pyrrole
SMILESCOCC1=CCNC1
InChIInChI=1S/C6H11NO/c1-8-5-6-2-3-7-4-6/h2,7H,3-5H2,1H3
InChIKeyXQCLHOOFEBQFIO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.16
Rot. Bonds2

About 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole

3-(methoxymethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 105427014) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(methoxymethyl)-2,5-dihydro-1H-pyrrole
PubChem CID105427014
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-(methoxymethyl)-2,5-dihydro-1H-pyrrole
SMILESCOCC1=CCNC1
InChIInChI=1S/C6H11NO/c1-8-5-6-2-3-7-4-6/h2,7H,3-5H2,1H3
InChIKeyXQCLHOOFEBQFIO-UHFFFAOYSA-N
XLogP0.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
CID 20806715
N-ethyl-4-methoxybut-2-en-1-amine
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2,5-dihydro-1H-pyrrol-3-ylmethyl acetate
CID 54316019
2-methoxy-2,5-dihydro-1H-pyrrole
CID 58975955
(E)-N-ethyl-4-methoxybut-2-en-1-amine
CID 87917605
N-ethyl-2-(oxetan-3-ylidene)ethanamine
CID 141356196
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
CID 143962949
(E)-4-methoxy-N-(2-methylpropyl)but-2-en-1-amine
CID 170150242
(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine
CID 170516761
3-(3-methylbut-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342601
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716074

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole (CID 105427014) is 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole is COCC1=CCNC1.
What is the InChIKey of 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is XQCLHOOFEBQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-5-6-2-3-7-4-6/h2,7H,3-5H2,1H3.
What are the key properties of 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
3-(methoxymethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 113.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 105427014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).