1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide

C11H19N3O2 — CID 80594475

IUPAC1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CC2)CC1C
InChIInChI=1S/C11H19N3O2/c1-7-5-14(6-8(7)2)10(15)11(3-4-11)9(12)13-16/h7-8,16H,3-6H2,1-2H3,(H2,12,13)
InChIKeySCPJTXCSNPSMPS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.63
Rot. Bonds2

About 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide

1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide (PubChem CID 80594475) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
PubChem CID80594475
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CC2)CC1C
InChIInChI=1S/C11H19N3O2/c1-7-5-14(6-8(7)2)10(15)11(3-4-11)9(12)13-16/h7-8,16H,3-6H2,1-2H3,(H2,12,13)
InChIKeySCPJTXCSNPSMPS-UHFFFAOYSA-N
XLogP0.63
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide?
The IUPAC name of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide (CID 80594475) is 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide?
The canonical SMILES for 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide is CC1CN(C(=O)C2(C(N)=NO)CC2)CC1C.
What is the InChIKey of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide?
The InChIKey is SCPJTXCSNPSMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-5-14(6-8(7)2)10(15)11(3-4-11)9(12)13-16/h7-8,16H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide?
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide has a molecular weight of 225.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide is sourced from PubChem (CID 80594475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).