N-(2,5-dihydro-1H-pyrrol-2-yl)formamide

C5H8N2O — CID 174646529

IUPACN-(2,5-dihydro-1H-pyrrol-2-yl)formamide
SMILESO=CNC1C=CCN1
InChIInChI=1S/C5H8N2O/c8-4-7-5-2-1-3-6-5/h1-2,4-6H,3H2,(H,7,8)
InChIKeyMEJYPRHLMJBRJN-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.78
Rot. Bonds2

About N-(2,5-dihydro-1H-pyrrol-2-yl)formamide

N-(2,5-dihydro-1H-pyrrol-2-yl)formamide (PubChem CID 174646529) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(2,5-dihydro-1H-pyrrol-2-yl)formamide.

Molecular Properties

Compound NameN-(2,5-dihydro-1H-pyrrol-2-yl)formamide
PubChem CID174646529
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(2,5-dihydro-1H-pyrrol-2-yl)formamide
SMILESO=CNC1C=CCN1
InChIInChI=1S/C5H8N2O/c8-4-7-5-2-1-3-6-5/h1-2,4-6H,3H2,(H,7,8)
InChIKeyMEJYPRHLMJBRJN-UHFFFAOYSA-N
XLogP-0.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydro-1H-pyrrol-2-yl)formamide?
The IUPAC name of N-(2,5-dihydro-1H-pyrrol-2-yl)formamide (CID 174646529) is N-(2,5-dihydro-1H-pyrrol-2-yl)formamide.
What is the SMILES notation for N-(2,5-dihydro-1H-pyrrol-2-yl)formamide?
The canonical SMILES for N-(2,5-dihydro-1H-pyrrol-2-yl)formamide is O=CNC1C=CCN1.
What is the InChIKey of N-(2,5-dihydro-1H-pyrrol-2-yl)formamide?
The InChIKey is MEJYPRHLMJBRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c8-4-7-5-2-1-3-6-5/h1-2,4-6H,3H2,(H,7,8).
What are the key properties of N-(2,5-dihydro-1H-pyrrol-2-yl)formamide?
N-(2,5-dihydro-1H-pyrrol-2-yl)formamide has a molecular weight of 112.13 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydro-1H-pyrrol-2-yl)formamide is sourced from PubChem (CID 174646529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).