2,3-dihydro-1H-imidazole-4-carboxamide

C4H7N3O — CID 21082121

IUPAC2,3-dihydro-1H-imidazole-4-carboxamide
SMILESNC(=O)C1=CNCN1
InChIInChI=1S/C4H7N3O/c5-4(8)3-1-6-2-7-3/h1,6-7H,2H2,(H2,5,8)
InChIKeyJTIMMNPDSZRQOR-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.54
Rot. Bonds1

About 2,3-dihydro-1H-imidazole-4-carboxamide

2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 21082121) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1H-imidazole-4-carboxamide
PubChem CID21082121
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2,3-dihydro-1H-imidazole-4-carboxamide
SMILESNC(=O)C1=CNCN1
InChIInChI=1S/C4H7N3O/c5-4(8)3-1-6-2-7-3/h1,6-7H,2H2,(H2,5,8)
InChIKeyJTIMMNPDSZRQOR-UHFFFAOYSA-N
XLogP-1.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-imidazole-4-carboxamide?
The IUPAC name of 2,3-dihydro-1H-imidazole-4-carboxamide (CID 21082121) is 2,3-dihydro-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2,3-dihydro-1H-imidazole-4-carboxamide?
The canonical SMILES for 2,3-dihydro-1H-imidazole-4-carboxamide is NC(=O)C1=CNCN1.
What is the InChIKey of 2,3-dihydro-1H-imidazole-4-carboxamide?
The InChIKey is JTIMMNPDSZRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-4(8)3-1-6-2-7-3/h1,6-7H,2H2,(H2,5,8).
What are the key properties of 2,3-dihydro-1H-imidazole-4-carboxamide?
2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 113.12 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 21082121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).