N-pyrrol-1-ylcarbamoyl chloride

C5H5ClN2O — CID 154374580

IUPACN-pyrrol-1-ylcarbamoyl chloride
SMILESO=C(Cl)Nn1cccc1
InChIInChI=1S/C5H5ClN2O/c6-5(9)7-8-3-1-2-4-8/h1-4H,(H,7,9)
InChIKeyYBQRLBCUORKMQN-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.39
Rot. Bonds1

About N-pyrrol-1-ylcarbamoyl chloride

N-pyrrol-1-ylcarbamoyl chloride (PubChem CID 154374580) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is N-pyrrol-1-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-pyrrol-1-ylcarbamoyl chloride
PubChem CID154374580
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC NameN-pyrrol-1-ylcarbamoyl chloride
SMILESO=C(Cl)Nn1cccc1
InChIInChI=1S/C5H5ClN2O/c6-5(9)7-8-3-1-2-4-8/h1-4H,(H,7,9)
InChIKeyYBQRLBCUORKMQN-UHFFFAOYSA-N
XLogP1.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pyrrol-1-ylcarbamoyl chloride?
The IUPAC name of N-pyrrol-1-ylcarbamoyl chloride (CID 154374580) is N-pyrrol-1-ylcarbamoyl chloride.
What is the SMILES notation for N-pyrrol-1-ylcarbamoyl chloride?
The canonical SMILES for N-pyrrol-1-ylcarbamoyl chloride is O=C(Cl)Nn1cccc1.
What is the InChIKey of N-pyrrol-1-ylcarbamoyl chloride?
The InChIKey is YBQRLBCUORKMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-5(9)7-8-3-1-2-4-8/h1-4H,(H,7,9).
What are the key properties of N-pyrrol-1-ylcarbamoyl chloride?
N-pyrrol-1-ylcarbamoyl chloride has a molecular weight of 144.56 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-ylcarbamoyl chloride is sourced from PubChem (CID 154374580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).