N-(2-aminopyrrol-1-yl)formamide

C5H7N3O — CID 175089251

IUPACN-(2-aminopyrrol-1-yl)formamide
SMILESNc1cccn1NC=O
InChIInChI=1S/C5H7N3O/c6-5-2-1-3-8(5)7-4-9/h1-4H,6H2,(H,7,9)
InChIKeyKEAWIAGSCMWQFC-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.23
Rot. Bonds2

About N-(2-aminopyrrol-1-yl)formamide

N-(2-aminopyrrol-1-yl)formamide (PubChem CID 175089251) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is N-(2-aminopyrrol-1-yl)formamide.

Molecular Properties

Compound NameN-(2-aminopyrrol-1-yl)formamide
PubChem CID175089251
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC NameN-(2-aminopyrrol-1-yl)formamide
SMILESNc1cccn1NC=O
InChIInChI=1S/C5H7N3O/c6-5-2-1-3-8(5)7-4-9/h1-4H,6H2,(H,7,9)
InChIKeyKEAWIAGSCMWQFC-UHFFFAOYSA-N
XLogP-0.23
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-aminopyrrol-1-yl)formamide?
The IUPAC name of N-(2-aminopyrrol-1-yl)formamide (CID 175089251) is N-(2-aminopyrrol-1-yl)formamide.
What is the SMILES notation for N-(2-aminopyrrol-1-yl)formamide?
The canonical SMILES for N-(2-aminopyrrol-1-yl)formamide is Nc1cccn1NC=O.
What is the InChIKey of N-(2-aminopyrrol-1-yl)formamide?
The InChIKey is KEAWIAGSCMWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5-2-1-3-8(5)7-4-9/h1-4H,6H2,(H,7,9).
What are the key properties of N-(2-aminopyrrol-1-yl)formamide?
N-(2-aminopyrrol-1-yl)formamide has a molecular weight of 125.13 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopyrrol-1-yl)formamide is sourced from PubChem (CID 175089251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).