1-(2-methoxyethyl)-2-nitropyrrole

C7H10N2O3 — CID 174853485

IUPAC1-(2-methoxyethyl)-2-nitropyrrole
SMILESCOCCn1cccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O3/c1-12-6-5-8-4-2-3-7(8)9(10)11/h2-4H,5-6H2,1H3
InChIKeyHHGPMQLBMJWTDA-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.04
Rot. Bonds4

About 1-(2-methoxyethyl)-2-nitropyrrole

1-(2-methoxyethyl)-2-nitropyrrole (PubChem CID 174853485) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-nitropyrrole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-nitropyrrole
PubChem CID174853485
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-methoxyethyl)-2-nitropyrrole
SMILESCOCCn1cccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O3/c1-12-6-5-8-4-2-3-7(8)9(10)11/h2-4H,5-6H2,1H3
InChIKeyHHGPMQLBMJWTDA-UHFFFAOYSA-N
XLogP1.04
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
1-(2-nitropyrrol-1-yl)hexan-2-one
CID 162213602
methyl 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carboxylate
CID 10730447
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
1-[2-(2-methoxyethoxy)ethyl]-5-nitroindole
CID 116619105
(2R,3S)-3-[(2-nitropyrrol-1-yl)methoxy]butane-1,2,4-triol
CID 11021171
1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
CID 106227866
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
1-(2-methoxyethyl)-4-nitroindole-3-carboxylic acid
CID 67255308
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
CID 103413364

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-nitropyrrole?
The IUPAC name of 1-(2-methoxyethyl)-2-nitropyrrole (CID 174853485) is 1-(2-methoxyethyl)-2-nitropyrrole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-nitropyrrole?
The canonical SMILES for 1-(2-methoxyethyl)-2-nitropyrrole is COCCn1cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxyethyl)-2-nitropyrrole?
The InChIKey is HHGPMQLBMJWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-12-6-5-8-4-2-3-7(8)9(10)11/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2-nitropyrrole?
1-(2-methoxyethyl)-2-nitropyrrole has a molecular weight of 170.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-nitropyrrole is sourced from PubChem (CID 174853485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).