2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide

C8H8Cl2N2O — CID 130905184

IUPAC2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
SMILESO=C(Nn1cccc1)C1CC1(Cl)Cl
InChIInChI=1S/C8H8Cl2N2O/c9-8(10)5-6(8)7(13)11-12-3-1-2-4-12/h1-4,6H,5H2,(H,11,13)
InChIKeyTXRKRUAAEBLMPZ-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.75
Rot. Bonds2

About 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide

2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide (PubChem CID 130905184) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
PubChem CID130905184
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
SMILESO=C(Nn1cccc1)C1CC1(Cl)Cl
InChIInChI=1S/C8H8Cl2N2O/c9-8(10)5-6(8)7(13)11-12-3-1-2-4-12/h1-4,6H,5H2,(H,11,13)
InChIKeyTXRKRUAAEBLMPZ-UHFFFAOYSA-N
XLogP1.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.75
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 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide (CID 130905184) is 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide is O=C(Nn1cccc1)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide?
The InChIKey is TXRKRUAAEBLMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-8(10)5-6(8)7(13)11-12-3-1-2-4-12/h1-4,6H,5H2,(H,11,13).
What are the key properties of 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide?
2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide has a molecular weight of 219.07 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 130905184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).