ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate

C10H16ClNO3 — CID 104700913

IUPACethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate
SMILESCCOC(=O)N(CCC(=O)CCl)C1CC1
InChIInChI=1S/C10H16ClNO3/c1-2-15-10(14)12(8-3-4-8)6-5-9(13)7-11/h8H,2-7H2,1H3
InChIKeyHURFWWDKRAGHAG-UHFFFAOYSA-N
MW233.69 g/mol
LogP1.81
Rot. Bonds6

About ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate

ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate (PubChem CID 104700913) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate
PubChem CID104700913
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Nameethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate
SMILESCCOC(=O)N(CCC(=O)CCl)C1CC1
InChIInChI=1S/C10H16ClNO3/c1-2-15-10(14)12(8-3-4-8)6-5-9(13)7-11/h8H,2-7H2,1H3
InChIKeyHURFWWDKRAGHAG-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate?
The IUPAC name of ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate (CID 104700913) is ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate.
What is the SMILES notation for ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate?
The canonical SMILES for ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate is CCOC(=O)N(CCC(=O)CCl)C1CC1.
What is the InChIKey of ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate?
The InChIKey is HURFWWDKRAGHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c1-2-15-10(14)12(8-3-4-8)6-5-9(13)7-11/h8H,2-7H2,1H3.
What are the key properties of ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate?
ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate has a molecular weight of 233.69 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chloro-3-oxobutyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 104700913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).