N-(1H-pyrrol-2-yl)formamide

C5H6N2O — CID 54492709

IUPACN-(1H-pyrrol-2-yl)formamide
SMILESO=CNc1ccc[nH]1
InChIInChI=1S/C5H6N2O/c8-4-7-5-2-1-3-6-5/h1-4,6H,(H,7,8)
InChIKeyVRMBTMMDNBJUHA-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.58
Rot. Bonds2

About N-(1H-pyrrol-2-yl)formamide

N-(1H-pyrrol-2-yl)formamide (PubChem CID 54492709) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is N-(1H-pyrrol-2-yl)formamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-yl)formamide
PubChem CID54492709
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC NameN-(1H-pyrrol-2-yl)formamide
SMILESO=CNc1ccc[nH]1
InChIInChI=1S/C5H6N2O/c8-4-7-5-2-1-3-6-5/h1-4,6H,(H,7,8)
InChIKeyVRMBTMMDNBJUHA-UHFFFAOYSA-N
XLogP0.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(1H-pyrrol-2-yl)formamide?
The IUPAC name of N-(1H-pyrrol-2-yl)formamide (CID 54492709) is N-(1H-pyrrol-2-yl)formamide.
What is the SMILES notation for N-(1H-pyrrol-2-yl)formamide?
The canonical SMILES for N-(1H-pyrrol-2-yl)formamide is O=CNc1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-yl)formamide?
The InChIKey is VRMBTMMDNBJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c8-4-7-5-2-1-3-6-5/h1-4,6H,(H,7,8).
What are the key properties of N-(1H-pyrrol-2-yl)formamide?
N-(1H-pyrrol-2-yl)formamide has a molecular weight of 110.12 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-yl)formamide is sourced from PubChem (CID 54492709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).