2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde

C4H7N3O — CID 86341028

IUPAC2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde
SMILESNC1NC=C(C=O)N1
InChIInChI=1S/C4H7N3O/c5-4-6-1-3(2-8)7-4/h1-2,4,6-7H,5H2
InChIKeyLKFQPPIALYMVEN-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.54
Rot. Bonds1

About 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde

2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde (PubChem CID 86341028) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde
PubChem CID86341028
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde
SMILESNC1NC=C(C=O)N1
InChIInChI=1S/C4H7N3O/c5-4-6-1-3(2-8)7-4/h1-2,4,6-7H,5H2
InChIKeyLKFQPPIALYMVEN-UHFFFAOYSA-N
XLogP-1.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 2724951
(5-Formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite
CID 168982735
AC1Nswv9
CID 5371640
3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
3-Bromo-2-ethoxy-1,2-dihydroimidazole-5-carbaldehyde
CID 87261781
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 88971063
3-sulfanyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 89014969
(Z)-3-amino-2-(methylamino)prop-2-enal
CID 89738463
(Z)-3-amino-2-(iodomethylamino)prop-2-enal
CID 89901233
4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide
CID 90091957

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde (CID 86341028) is 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde is NC1NC=C(C=O)N1.
What is the InChIKey of 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The InChIKey is LKFQPPIALYMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-4-6-1-3(2-8)7-4/h1-2,4,6-7H,5H2.
What are the key properties of 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde?
2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 86341028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).