ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate

C7H14N2O2 — CID 101141601

IUPACethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
SMILESCCO/C(=N/O)C1CCCN1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(9-10)6-4-3-5-8-6/h6,8,10H,2-5H2,1H3/b9-7+
InChIKeyCDVJNBRFKZWEKX-VQHVLOKHSA-N
MW158.20 g/mol
LogP0.56
Rot. Bonds2

About ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate

ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate (PubChem CID 101141601) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate.

Molecular Properties

Compound Nameethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
PubChem CID101141601
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl (2E)-N-hydroxypyrrolidine-2-carboximidate
SMILESCCO/C(=N/O)C1CCCN1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(9-10)6-4-3-5-8-6/h6,8,10H,2-5H2,1H3/b9-7+
InChIKeyCDVJNBRFKZWEKX-VQHVLOKHSA-N
XLogP0.56
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.56
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

ethyl (2E)-2-hydroxyimino-2-pyrrolidin-2-ylacetate
CID 102257932
ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 159339373
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
2-[(E)-pent-2-en-3-yl]pyrrolidine
CID 55299254
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
ethyl 2-piperidin-2-yloxyacetate
CID 68921876
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119297431
2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid
CID 67691617
ethyl 4-(azepane-2-carbonyl)piperazine-1-carboxylate
CID 64563459

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate?
The IUPAC name of ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate (CID 101141601) is ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate.
What is the SMILES notation for ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate?
The canonical SMILES for ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate is CCO/C(=N/O)C1CCCN1.
What is the InChIKey of ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate?
The InChIKey is CDVJNBRFKZWEKX-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(9-10)6-4-3-5-8-6/h6,8,10H,2-5H2,1H3/b9-7+.
What are the key properties of ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate?
ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate has a molecular weight of 158.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-N-hydroxypyrrolidine-2-carboximidate is sourced from PubChem (CID 101141601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).