N-ethyl-N-propan-2-ylcarbamoyl chloride

C6H12ClNO — CID 21185221

IUPACN-ethyl-N-propan-2-ylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C(C)C
InChIInChI=1S/C6H12ClNO/c1-4-8(5(2)3)6(7)9/h5H,4H2,1-3H3
InChIKeySVLNCPUVMJGVFR-UHFFFAOYSA-N
MW149.62 g/mol
LogP2.08
Rot. Bonds2

About N-ethyl-N-propan-2-ylcarbamoyl chloride

N-ethyl-N-propan-2-ylcarbamoyl chloride (PubChem CID 21185221) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylcarbamoyl chloride
PubChem CID21185221
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-ethyl-N-propan-2-ylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C(C)C
InChIInChI=1S/C6H12ClNO/c1-4-8(5(2)3)6(7)9/h5H,4H2,1-3H3
InChIKeySVLNCPUVMJGVFR-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylcarbamoyl chloride?
The IUPAC name of N-ethyl-N-propan-2-ylcarbamoyl chloride (CID 21185221) is N-ethyl-N-propan-2-ylcarbamoyl chloride.
What is the SMILES notation for N-ethyl-N-propan-2-ylcarbamoyl chloride?
The canonical SMILES for N-ethyl-N-propan-2-ylcarbamoyl chloride is CCN(C(=O)Cl)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylcarbamoyl chloride?
The InChIKey is SVLNCPUVMJGVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-4-8(5(2)3)6(7)9/h5H,4H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-ylcarbamoyl chloride?
N-ethyl-N-propan-2-ylcarbamoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylcarbamoyl chloride is sourced from PubChem (CID 21185221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).