N-pyrrol-1-ylformamide

C5H6N2O — CID 56980626

IUPACN-pyrrol-1-ylformamide
SMILESO=CNn1cccc1
InChIInChI=1S/C5H6N2O/c8-5-6-7-3-1-2-4-7/h1-5H,(H,6,8)
InChIKeyXBUDPDDLRPIWEE-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.19
Rot. Bonds2

About N-pyrrol-1-ylformamide

N-pyrrol-1-ylformamide (PubChem CID 56980626) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is N-pyrrol-1-ylformamide.

Molecular Properties

Compound NameN-pyrrol-1-ylformamide
PubChem CID56980626
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC NameN-pyrrol-1-ylformamide
SMILESO=CNn1cccc1
InChIInChI=1S/C5H6N2O/c8-5-6-7-3-1-2-4-7/h1-5H,(H,6,8)
InChIKeyXBUDPDDLRPIWEE-UHFFFAOYSA-N
XLogP0.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-ylformamide?
The IUPAC name of N-pyrrol-1-ylformamide (CID 56980626) is N-pyrrol-1-ylformamide.
What is the SMILES notation for N-pyrrol-1-ylformamide?
The canonical SMILES for N-pyrrol-1-ylformamide is O=CNn1cccc1.
What is the InChIKey of N-pyrrol-1-ylformamide?
The InChIKey is XBUDPDDLRPIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c8-5-6-7-3-1-2-4-7/h1-5H,(H,6,8).
What are the key properties of N-pyrrol-1-ylformamide?
N-pyrrol-1-ylformamide has a molecular weight of 110.12 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-ylformamide is sourced from PubChem (CID 56980626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).