methyl 3-hydroxyiminocyclopentane-1-carboxylate

C7H11NO3 — CID 88834082

IUPACmethyl 3-hydroxyiminocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(=NO)C1
InChIInChI=1S/C7H11NO3/c1-11-7(9)5-2-3-6(4-5)8-10/h5,10H,2-4H2,1H3
InChIKeyFBBRXWRFJSSFLX-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.79
Rot. Bonds1

About methyl 3-hydroxyiminocyclopentane-1-carboxylate

methyl 3-hydroxyiminocyclopentane-1-carboxylate (PubChem CID 88834082) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 3-hydroxyiminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxyiminocyclopentane-1-carboxylate
PubChem CID88834082
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 3-hydroxyiminocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(=NO)C1
InChIInChI=1S/C7H11NO3/c1-11-7(9)5-2-3-6(4-5)8-10/h5,10H,2-4H2,1H3
InChIKeyFBBRXWRFJSSFLX-UHFFFAOYSA-N
XLogP0.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

3-(2-methylpropyl)-4H-1,2-oxazol-5-one
CID 58439480
methyl (2Z)-2-hydroxyimino-4-methylpentanoate
CID 20347178
alpha'-Oximino-alpha-methyladipinsauredimethylester
CID 129629701
Ethyl [2-(hydroxyimino)cyclopentyl]acetate
CID 6393794
3-Acetyl hexanedioic acid, methyl ester, methoxime, anti
CID 91749502
Cyclopentanecarboxylicacid, 3-(hydroxyimino)-
CID 239216
methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
CID 15297219
Methyl 2-hydrazinylidenecyclopentane-1-carboxylate
CID 57143690
ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate
CID 59873623
Methyl 2-hydroxyimino-4-methylpentanoate
CID 73677195
3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one
CID 83845395
Ethyl 2-hydroxyiminocyclopentanepropionate
CID 85618482

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxyiminocyclopentane-1-carboxylate?
The IUPAC name of methyl 3-hydroxyiminocyclopentane-1-carboxylate (CID 88834082) is methyl 3-hydroxyiminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxyiminocyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-hydroxyiminocyclopentane-1-carboxylate is COC(=O)C1CCC(=NO)C1.
What is the InChIKey of methyl 3-hydroxyiminocyclopentane-1-carboxylate?
The InChIKey is FBBRXWRFJSSFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(9)5-2-3-6(4-5)8-10/h5,10H,2-4H2,1H3.
What are the key properties of methyl 3-hydroxyiminocyclopentane-1-carboxylate?
methyl 3-hydroxyiminocyclopentane-1-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxyiminocyclopentane-1-carboxylate is sourced from PubChem (CID 88834082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).