methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate

C13H23NO3 — CID 74005258

IUPACmethyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
SMILESCCC=CCC1C(CC(=O)OC)CCC1NO
InChIInChI=1S/C13H23NO3/c1-3-4-5-6-11-10(9-13(15)17-2)7-8-12(11)14-16/h4-5,10-12,14,16H,3,6-9H2,1-2H3
InChIKeyHQTMDKMCQPPOEU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate

methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate (PubChem CID 74005258) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
PubChem CID74005258
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
SMILESCCC=CCC1C(CC(=O)OC)CCC1NO
InChIInChI=1S/C13H23NO3/c1-3-4-5-6-11-10(9-13(15)17-2)7-8-12(11)14-16/h4-5,10-12,14,16H,3,6-9H2,1-2H3
InChIKeyHQTMDKMCQPPOEU-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
CID 72593148
methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
CID 155743321
2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
CID 90951221
methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
CID 146165035
methyl 2-[2-(2,2-dimethoxyethyl)-3-hydroxycyclopentyl]acetate
CID 139644685
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 64920601

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate?
The IUPAC name of methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate (CID 74005258) is methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate is CCC=CCC1C(CC(=O)OC)CCC1NO.
What is the InChIKey of methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate?
The InChIKey is HQTMDKMCQPPOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-4-5-6-11-10(9-13(15)17-2)7-8-12(11)14-16/h4-5,10-12,14,16H,3,6-9H2,1-2H3.
What are the key properties of methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate?
methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate has a molecular weight of 241.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate is sourced from PubChem (CID 74005258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).