N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride

C9H14ClNO — CID 54335932

IUPACN-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride
SMILESCCCN(C(=O)Cl)C1C=CCC1
InChIInChI=1S/C9H14ClNO/c1-2-7-11(9(10)12)8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyTVLRJIRSXSFNGX-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.78
Rot. Bonds3

About N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride

N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride (PubChem CID 54335932) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride
PubChem CID54335932
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC NameN-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride
SMILESCCCN(C(=O)Cl)C1C=CCC1
InChIInChI=1S/C9H14ClNO/c1-2-7-11(9(10)12)8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyTVLRJIRSXSFNGX-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.78
H-Bond Donors ≤ 50
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-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride?
The IUPAC name of N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride (CID 54335932) is N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride.
What is the SMILES notation for N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride?
The canonical SMILES for N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride is CCCN(C(=O)Cl)C1C=CCC1.
What is the InChIKey of N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride?
The InChIKey is TVLRJIRSXSFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c1-2-7-11(9(10)12)8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride?
N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride has a molecular weight of 187.67 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-2-en-1-yl-N-propylcarbamoyl chloride is sourced from PubChem (CID 54335932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).