N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride

C9H14ClNO — CID 57144573

IUPACN-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride
SMILESO=C(Cl)NCCC1C=CCCC1
InChIInChI=1S/C9H14ClNO/c10-9(12)11-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2,(H,11,12)
InChIKeyKTYLGDFSUPUXRL-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.68
Rot. Bonds3

About N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride

N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride (PubChem CID 57144573) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride
PubChem CID57144573
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC NameN-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride
SMILESO=C(Cl)NCCC1C=CCCC1
InChIInChI=1S/C9H14ClNO/c10-9(12)11-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2,(H,11,12)
InChIKeyKTYLGDFSUPUXRL-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride?
The IUPAC name of N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride (CID 57144573) is N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride.
What is the SMILES notation for N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride?
The canonical SMILES for N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride is O=C(Cl)NCCC1C=CCCC1.
What is the InChIKey of N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride?
The InChIKey is KTYLGDFSUPUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-9(12)11-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2,(H,11,12).
What are the key properties of N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride?
N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride has a molecular weight of 187.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohex-2-en-1-ylethyl)carbamoyl chloride is sourced from PubChem (CID 57144573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).