prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate

C10H15BrN2O3 — CID 67597256

IUPACprop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)CBr)C1
InChIInChI=1S/C10H15BrN2O3/c1-2-5-16-10(15)13-4-3-8(7-13)12-9(14)6-11/h2,8H,1,3-7H2,(H,12,14)
InChIKeyKHDOUXPJWRZGRY-UHFFFAOYSA-N
MW291.15 g/mol
LogP0.89
Rot. Bonds4

About prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate

prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate (PubChem CID 67597256) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate
PubChem CID67597256
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Nameprop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)CBr)C1
InChIInChI=1S/C10H15BrN2O3/c1-2-5-16-10(15)13-4-3-8(7-13)12-9(14)6-11/h2,8H,1,3-7H2,(H,12,14)
InChIKeyKHDOUXPJWRZGRY-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (3R)-3-[(3-chlorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 129047500
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 176702681
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
3-[(3R,4S)-3-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl]propanoic acid
CID 66870234
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
CID 130617016
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate (CID 67597256) is prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC(NC(=O)CBr)C1.
What is the InChIKey of prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is KHDOUXPJWRZGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-2-5-16-10(15)13-4-3-8(7-13)12-9(14)6-11/h2,8H,1,3-7H2,(H,12,14).
What are the key properties of prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate?
prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 291.15 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[(2-bromoacetyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67597256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).