methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid

C10H19BN2O2 — CID 23594741

IUPACmethyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid
SMILESC/C=C/C(CC1CCNC1=O)NB(C)O
InChIInChI=1S/C10H19BN2O2/c1-3-4-9(13-11(2)15)7-8-5-6-12-10(8)14/h3-4,8-9,13,15H,5-7H2,1-2H3,(H,12,14)/b4-3+
InChIKeyJPVCXESYFBCZLF-ONEGZZNKSA-N
MW210.09 g/mol
LogP0.16
Rot. Bonds5

About methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid

methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid (PubChem CID 23594741) has the molecular formula C10H19BN2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid.

Molecular Properties

Compound Namemethyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid
PubChem CID23594741
Molecular FormulaC10H19BN2O2
Molecular Weight210.09 g/mol
Exact Mass210.15
IUPAC Namemethyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid
SMILESC/C=C/C(CC1CCNC1=O)NB(C)O
InChIInChI=1S/C10H19BN2O2/c1-3-4-9(13-11(2)15)7-8-5-6-12-10(8)14/h3-4,8-9,13,15H,5-7H2,1-2H3,(H,12,14)/b4-3+
InChIKeyJPVCXESYFBCZLF-ONEGZZNKSA-N
XLogP0.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid?
The IUPAC name of methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid (CID 23594741) is methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid.
What is the SMILES notation for methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid?
The canonical SMILES for methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid is C/C=C/C(CC1CCNC1=O)NB(C)O.
What is the InChIKey of methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid?
The InChIKey is JPVCXESYFBCZLF-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19BN2O2/c1-3-4-9(13-11(2)15)7-8-5-6-12-10(8)14/h3-4,8-9,13,15H,5-7H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid?
methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid has a molecular weight of 210.09 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-N-[(E)-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]boronamidic acid is sourced from PubChem (CID 23594741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).