N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide

C7H15N3O3 — CID 103540014

IUPACN'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(C(N)=NO)CC1OC
InChIInChI=1S/C7H15N3O3/c1-12-5-3-10(7(8)9-11)4-6(5)13-2/h5-6,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXFIDPBMENAUYHX-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.96
Rot. Bonds2

About N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide

N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103540014) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103540014
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILESCOC1CN(C(N)=NO)CC1OC
InChIInChI=1S/C7H15N3O3/c1-12-5-3-10(7(8)9-11)4-6(5)13-2/h5-6,11H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXFIDPBMENAUYHX-UHFFFAOYSA-N
XLogP-0.96
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
N',3-dihydroxypyrrolidine-1-carboximidamide
CID 76981334
3-Methoxypyrrolidine-1-carboximidamide
CID 103534603
3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534605
3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534608
N'-ethyl-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534612
N'-amino-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534614
3,4-Dimethoxypyrrolidine-1-carboximidamide
CID 103534615
N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide
CID 103540013
N',3,4-trihydroxypyrrolidine-1-carboximidamide
CID 106674265
3-Hydroxy-4-methoxypyrrolidine-1-carboximidamide
CID 121203864

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103540014) is N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide is COC1CN(C(N)=NO)CC1OC.
What is the InChIKey of N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is XFIDPBMENAUYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-12-5-3-10(7(8)9-11)4-6(5)13-2/h5-6,11H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide?
N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 189.21 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103540014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).