2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde

C5H10N2O3 — CID 174782015

IUPAC2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde
SMILESCN1C(O)CNC1(O)C=O
InChIInChI=1S/C5H10N2O3/c1-7-4(9)2-6-5(7,10)3-8/h3-4,6,9-10H,2H2,1H3
InChIKeyPDGZMIHKOBYTHF-UHFFFAOYSA-N
MW146.15 g/mol
LogP-2.32
Rot. Bonds1

About 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde

2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde (PubChem CID 174782015) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde
PubChem CID174782015
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde
SMILESCN1C(O)CNC1(O)C=O
InChIInChI=1S/C5H10N2O3/c1-7-4(9)2-6-5(7,10)3-8/h3-4,6,9-10H,2H2,1H3
InChIKeyPDGZMIHKOBYTHF-UHFFFAOYSA-N
XLogP-2.32
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trihydroxypiperidine-2-carbaldehyde
CID 174706706
2,4-dimethylpyrrolidine-2-carbaldehyde
CID 174809665
acetaldehyde;adamantan-1-ol
CID 175101814
3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 67431030
cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
CID 12962870
1-(3-acetyl-2,2-dihydroxyimidazolidin-4-yl)ethanone
CID 54391730
1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
CID 70582524
3-ethyl-4,4-dimethylpyrrolidine-2,2-dicarbaldehyde
CID 57277173
cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
CID 118911984
(3S)-2,2,5,5-tetramethylspiro[2.3]hexan-6-ol
CID 130634198
pyrrolidine-2,2,3-triol
CID 54103203
1-(3,4,5-trihydroxypiperidin-4-yl)ethanone
CID 70142980

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde?
The IUPAC name of 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde (CID 174782015) is 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde.
What is the SMILES notation for 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde?
The canonical SMILES for 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde is CN1C(O)CNC1(O)C=O.
What is the InChIKey of 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde?
The InChIKey is PDGZMIHKOBYTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7-4(9)2-6-5(7,10)3-8/h3-4,6,9-10H,2H2,1H3.
What are the key properties of 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde?
2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde has a molecular weight of 146.15 g/mol, XLogP of -2.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-1-methylimidazolidine-2-carbaldehyde is sourced from PubChem (CID 174782015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).