propan-2-yl N-(2-chloroethyl)carbamate

C6H12ClNO2 — CID 15649892

IUPACpropan-2-yl N-(2-chloroethyl)carbamate
SMILESCC(C)OC(=O)NCCCl
InChIInChI=1S/C6H12ClNO2/c1-5(2)10-6(9)8-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyGAKIMVMUANVPTC-UHFFFAOYSA-N
MW165.62 g/mol
LogP1.36
Rot. Bonds3

About propan-2-yl N-(2-chloroethyl)carbamate

propan-2-yl N-(2-chloroethyl)carbamate (PubChem CID 15649892) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is propan-2-yl N-(2-chloroethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-chloroethyl)carbamate
PubChem CID15649892
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namepropan-2-yl N-(2-chloroethyl)carbamate
SMILESCC(C)OC(=O)NCCCl
InChIInChI=1S/C6H12ClNO2/c1-5(2)10-6(9)8-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyGAKIMVMUANVPTC-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxycarbonylamino)ethyl carbonochloridate
CID 14073059
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
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propan-2-yl N-[2-(diethylamino)ethyl]carbamate
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propan-2-yl N-(2-cyclopropylethyl)carbamate
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propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
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propan-2-yl N-[(E)-4-chlorobut-2-enyl]carbamate
CID 79006107
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
propan-2-yl N-(3-methylsulfonylpropyl)carbamate
CID 116655205
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162683918
propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-chloroethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-chloroethyl)carbamate (CID 15649892) is propan-2-yl N-(2-chloroethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-chloroethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-chloroethyl)carbamate is CC(C)OC(=O)NCCCl.
What is the InChIKey of propan-2-yl N-(2-chloroethyl)carbamate?
The InChIKey is GAKIMVMUANVPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-5(2)10-6(9)8-4-3-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of propan-2-yl N-(2-chloroethyl)carbamate?
propan-2-yl N-(2-chloroethyl)carbamate has a molecular weight of 165.62 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-chloroethyl)carbamate is sourced from PubChem (CID 15649892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).