N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide

C11H21N3O2 — CID 77057970

IUPACN'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CCC1CCCO1
InChIInChI=1S/C11H21N3O2/c12-11(13-15)10-4-1-6-14(10)7-5-9-3-2-8-16-9/h9-10,15H,1-8H2,(H2,12,13)
InChIKeyZAVJDGNLLIPYTP-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.77
Rot. Bonds4

About N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide

N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide (PubChem CID 77057970) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
PubChem CID77057970
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1CCC1CCCO1
InChIInChI=1S/C11H21N3O2/c12-11(13-15)10-4-1-6-14(10)7-5-9-3-2-8-16-9/h9-10,15H,1-8H2,(H2,12,13)
InChIKeyZAVJDGNLLIPYTP-UHFFFAOYSA-N
XLogP0.77
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.77
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

N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
CID 77057975
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate
CID 113330972
N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
CID 77057944
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
CID 77036256
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
CID 77036189
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 124621589

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide (CID 77057970) is N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1CCC1CCCO1.
What is the InChIKey of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide?
The InChIKey is ZAVJDGNLLIPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-11(13-15)10-4-1-6-14(10)7-5-9-3-2-8-16-9/h9-10,15H,1-8H2,(H2,12,13).
What are the key properties of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide?
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77057970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).