2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C8H14N4O2 — CID 121201498

IUPAC2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCCN1C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H14N4O2/c1-14-6-7-3-2-4-12(7)8(13)5-10-11-9/h7H,2-6H2,1H3
InChIKeyINRQTIVJIDRIRE-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.93
Rot. Bonds4

About 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone

2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 121201498) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID121201498
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCCN1C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H14N4O2/c1-14-6-7-3-2-4-12(7)8(13)5-10-11-9/h7H,2-6H2,1H3
InChIKeyINRQTIVJIDRIRE-UHFFFAOYSA-N
XLogP0.93
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
CID 166480351
CID 166480351
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
4-[(2S)-2-(methoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129359557
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 121201498) is 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone is COCC1CCCN1C(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is INRQTIVJIDRIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-14-6-7-3-2-4-12(7)8(13)5-10-11-9/h7H,2-6H2,1H3.
What are the key properties of 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 198.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121201498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).