(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium

C6H11N3O2 — CID 90470907

IUPAC(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium
SMILESC/[N+]([O-])=N\C(=O)N1CCCC1
InChIInChI=1S/C6H11N3O2/c1-8(11)7-6(10)9-4-2-3-5-9/h2-5H2,1H3/b8-7+
InChIKeyGMDVIRRQLVCODZ-BQYQJAHWSA-N
MW157.17 g/mol
LogP0.79
Rot. Bonds

About (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium

(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium (PubChem CID 90470907) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium.

Molecular Properties

Compound Name(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium
PubChem CID90470907
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium
SMILESC/[N+]([O-])=N\C(=O)N1CCCC1
InChIInChI=1S/C6H11N3O2/c1-8(11)7-6(10)9-4-2-3-5-9/h2-5H2,1H3/b8-7+
InChIKeyGMDVIRRQLVCODZ-BQYQJAHWSA-N
XLogP0.79
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(azepan-1-yl)-2-nitroethanone
CID 108814389
(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
CID 161114274
2-nitro-1-piperidin-1-ylethanone
CID 12624440
1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine
CID 58723509
1-(azetidin-1-yl)ethanone
CID 14061673
propane;1-pyrrolidin-1-ylethanone
CID 143432619
ethane;pyrrolidine-1-carboxamide
CID 144643607
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
ethane;piperidine-1-carboxamide
CID 176963561
iodomethane;piperidine-1-carboxylic acid
CID 159672368
methanethiol;pyrrolidine-1-carboxamide
CID 155736349

Frequently Asked Questions

What is the IUPAC name of (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium?
The IUPAC name of (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium (CID 90470907) is (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium.
What is the SMILES notation for (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium?
The canonical SMILES for (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium is C/[N+]([O-])=N\C(=O)N1CCCC1.
What is the InChIKey of (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium?
The InChIKey is GMDVIRRQLVCODZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-8(11)7-6(10)9-4-2-3-5-9/h2-5H2,1H3/b8-7+.
What are the key properties of (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium?
(E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium has a molecular weight of 157.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-methyl-oxido-(pyrrolidine-1-carbonylimino)azanium is sourced from PubChem (CID 90470907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).