N-(2,3-dihydro-1H-imidazol-2-yl)formamide

C4H7N3O — CID 90138160

IUPACN-(2,3-dihydro-1H-imidazol-2-yl)formamide
SMILESO=CNC1NC=CN1
InChIInChI=1S/C4H7N3O/c8-3-7-4-5-1-2-6-4/h1-6H,(H,7,8)
InChIKeyCHQNXZZDOIHUHS-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.32
Rot. Bonds2

About N-(2,3-dihydro-1H-imidazol-2-yl)formamide

N-(2,3-dihydro-1H-imidazol-2-yl)formamide (PubChem CID 90138160) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-imidazol-2-yl)formamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-imidazol-2-yl)formamide
PubChem CID90138160
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC NameN-(2,3-dihydro-1H-imidazol-2-yl)formamide
SMILESO=CNC1NC=CN1
InChIInChI=1S/C4H7N3O/c8-3-7-4-5-1-2-6-4/h1-6H,(H,7,8)
InChIKeyCHQNXZZDOIHUHS-UHFFFAOYSA-N
XLogP-1.32
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
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-(2,3-dihydro-1H-imidazol-2-yl)formamide?
The IUPAC name of N-(2,3-dihydro-1H-imidazol-2-yl)formamide (CID 90138160) is N-(2,3-dihydro-1H-imidazol-2-yl)formamide.
What is the SMILES notation for N-(2,3-dihydro-1H-imidazol-2-yl)formamide?
The canonical SMILES for N-(2,3-dihydro-1H-imidazol-2-yl)formamide is O=CNC1NC=CN1.
What is the InChIKey of N-(2,3-dihydro-1H-imidazol-2-yl)formamide?
The InChIKey is CHQNXZZDOIHUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c8-3-7-4-5-1-2-6-4/h1-6H,(H,7,8).
What are the key properties of N-(2,3-dihydro-1H-imidazol-2-yl)formamide?
N-(2,3-dihydro-1H-imidazol-2-yl)formamide has a molecular weight of 113.12 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-imidazol-2-yl)formamide is sourced from PubChem (CID 90138160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).