4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide

C10H12BrN3O — CID 8982527

IUPAC4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide
SMILESO=C(NN=C1CCCC1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H12BrN3O/c11-7-5-9(12-6-7)10(15)14-13-8-3-1-2-4-8/h5-6,12H,1-4H2,(H,14,15)
InChIKeyJWSWQTBAZSPWKT-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.44
Rot. Bonds2

About 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide

4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide (PubChem CID 8982527) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide
PubChem CID8982527
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide
SMILESO=C(NN=C1CCCC1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H12BrN3O/c11-7-5-9(12-6-7)10(15)14-13-8-3-1-2-4-8/h5-6,12H,1-4H2,(H,14,15)
InChIKeyJWSWQTBAZSPWKT-UHFFFAOYSA-N
XLogP2.44
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide (CID 8982527) is 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide is O=C(NN=C1CCCC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide?
The InChIKey is JWSWQTBAZSPWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-7-5-9(12-6-7)10(15)14-13-8-3-1-2-4-8/h5-6,12H,1-4H2,(H,14,15).
What are the key properties of 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide?
4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8982527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).