prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate

C12H18N2O4 — CID 10445017

IUPACprop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate
SMILESC=CCOC(=O)NC(C(=O)NOC)C1C=CCC1
InChIInChI=1S/C12H18N2O4/c1-3-8-18-12(16)13-10(11(15)14-17-2)9-6-4-5-7-9/h3-4,6,9-10H,1,5,7-8H2,2H3,(H,13,16)(H,14,15)
InChIKeyOVQURPLURGMLLZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.91
Rot. Bonds6

About prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate

prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate (PubChem CID 10445017) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate
PubChem CID10445017
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameprop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate
SMILESC=CCOC(=O)NC(C(=O)NOC)C1C=CCC1
InChIInChI=1S/C12H18N2O4/c1-3-8-18-12(16)13-10(11(15)14-17-2)9-6-4-5-7-9/h3-4,6,9-10H,1,5,7-8H2,2H3,(H,13,16)(H,14,15)
InChIKeyOVQURPLURGMLLZ-UHFFFAOYSA-N
XLogP0.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate?
The IUPAC name of prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate (CID 10445017) is prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate is C=CCOC(=O)NC(C(=O)NOC)C1C=CCC1.
What is the InChIKey of prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate?
The InChIKey is OVQURPLURGMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-8-18-12(16)13-10(11(15)14-17-2)9-6-4-5-7-9/h3-4,6,9-10H,1,5,7-8H2,2H3,(H,13,16)(H,14,15).
What are the key properties of prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate?
prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate has a molecular weight of 254.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-cyclopent-2-en-1-yl-2-(methoxyamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 10445017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).