ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate

C8H12BrNO3 — CID 104701385

IUPACethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(C(=O)CBr)CC1
InChIInChI=1S/C8H12BrNO3/c1-2-13-7(12)10-8(3-4-8)6(11)5-9/h2-5H2,1H3,(H,10,12)
InChIKeyVXFSKKOBUMZYIS-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.23
Rot. Bonds4

About ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate

ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate (PubChem CID 104701385) has the molecular formula C8H12BrNO3 and a molecular weight of 250.09 g/mol. Its IUPAC name is ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
PubChem CID104701385
Molecular FormulaC8H12BrNO3
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Nameethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
SMILESCCOC(=O)NC1(C(=O)CBr)CC1
InChIInChI=1S/C8H12BrNO3/c1-2-13-7(12)10-8(3-4-8)6(11)5-9/h2-5H2,1H3,(H,10,12)
InChIKeyVXFSKKOBUMZYIS-UHFFFAOYSA-N
XLogP1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
methyl 1-(ethoxycarbonylamino)-2,2-dimethylcyclopropane-1-carboxylate
CID 10081997
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
trans-ethyl (1S,3R)-3-cyano-1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 10912075
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate
CID 123318540
ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
CID 155893544
propyl N-[1-(2-chloroacetyl)-4-methylcyclohexyl]carbamate
CID 112738913
ethyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 104700701

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate?
The IUPAC name of ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate (CID 104701385) is ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate?
The canonical SMILES for ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate is CCOC(=O)NC1(C(=O)CBr)CC1.
What is the InChIKey of ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate?
The InChIKey is VXFSKKOBUMZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3/c1-2-13-7(12)10-8(3-4-8)6(11)5-9/h2-5H2,1H3,(H,10,12).
What are the key properties of ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate?
ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate has a molecular weight of 250.09 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate is sourced from PubChem (CID 104701385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).