1-chloroethyl N-(2-methoxyethyl)carbamate

C6H12ClNO3 — CID 150618578

IUPAC1-chloroethyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OC(C)Cl
InChIInChI=1S/C6H12ClNO3/c1-5(7)11-6(9)8-3-4-10-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyIVKJCNTVHIMSFV-UHFFFAOYSA-N
MW181.62 g/mol
LogP0.94
Rot. Bonds4

About 1-chloroethyl N-(2-methoxyethyl)carbamate

1-chloroethyl N-(2-methoxyethyl)carbamate (PubChem CID 150618578) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 1-chloroethyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name1-chloroethyl N-(2-methoxyethyl)carbamate
PubChem CID150618578
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name1-chloroethyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OC(C)Cl
InChIInChI=1S/C6H12ClNO3/c1-5(7)11-6(9)8-3-4-10-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyIVKJCNTVHIMSFV-UHFFFAOYSA-N
XLogP0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen
CID 154661368
2-(propan-2-yloxycarbonylamino)ethyl carbonochloridate
CID 14073059
2-acetamidoethyl 1-chloroethyl carbonate
CID 23019510
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
8-azidooctan-3-yl N-(2-methoxyethyl)carbamate
CID 166006030
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818

Frequently Asked Questions

What is the IUPAC name of 1-chloroethyl N-(2-methoxyethyl)carbamate?
The IUPAC name of 1-chloroethyl N-(2-methoxyethyl)carbamate (CID 150618578) is 1-chloroethyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 1-chloroethyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for 1-chloroethyl N-(2-methoxyethyl)carbamate is COCCNC(=O)OC(C)Cl.
What is the InChIKey of 1-chloroethyl N-(2-methoxyethyl)carbamate?
The InChIKey is IVKJCNTVHIMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3/c1-5(7)11-6(9)8-3-4-10-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 1-chloroethyl N-(2-methoxyethyl)carbamate?
1-chloroethyl N-(2-methoxyethyl)carbamate has a molecular weight of 181.62 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 150618578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).