chloromethyl N-propan-2-ylcarbamate

C5H10ClNO2 — CID 10773150

IUPACchloromethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCl
InChIInChI=1S/C5H10ClNO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyLKWVBNULHZTTAW-UHFFFAOYSA-N
MW151.59 g/mol
LogP1.32
Rot. Bonds2

About chloromethyl N-propan-2-ylcarbamate

chloromethyl N-propan-2-ylcarbamate (PubChem CID 10773150) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is chloromethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namechloromethyl N-propan-2-ylcarbamate
PubChem CID10773150
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Namechloromethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCl
InChIInChI=1S/C5H10ClNO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyLKWVBNULHZTTAW-UHFFFAOYSA-N
XLogP1.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 chloromethyl N-propan-2-ylcarbamate?
The IUPAC name of chloromethyl N-propan-2-ylcarbamate (CID 10773150) is chloromethyl N-propan-2-ylcarbamate.
What is the SMILES notation for chloromethyl N-propan-2-ylcarbamate?
The canonical SMILES for chloromethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCl.
What is the InChIKey of chloromethyl N-propan-2-ylcarbamate?
The InChIKey is LKWVBNULHZTTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of chloromethyl N-propan-2-ylcarbamate?
chloromethyl N-propan-2-ylcarbamate has a molecular weight of 151.59 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 10773150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).