N',2-dihydroxypropanimidamide

C3H8N2O2 — CID 5063567

IUPACN',2-dihydroxypropanimidamide
SMILESCC(O)C(N)=NO
InChIInChI=1S/C3H8N2O2/c1-2(6)3(4)5-7/h2,6-7H,1H3,(H2,4,5)
InChIKeyTWQGERCRJDBWSY-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.89
Rot. Bonds1

About N',2-dihydroxypropanimidamide

N',2-dihydroxypropanimidamide (PubChem CID 5063567) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is N',2-dihydroxypropanimidamide.

Molecular Properties

Compound NameN',2-dihydroxypropanimidamide
PubChem CID5063567
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC NameN',2-dihydroxypropanimidamide
SMILESCC(O)C(N)=NO
InChIInChI=1S/C3H8N2O2/c1-2(6)3(4)5-7/h2,6-7H,1H3,(H2,4,5)
InChIKeyTWQGERCRJDBWSY-UHFFFAOYSA-N
XLogP-0.89
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxypropanimidamide hydrochloride
CID 22328699
(2R)-2-hydroxypropanimidamide hydrochloride
CID 42614222
2-Hydroxypropanimidamide
CID 4659740
CID 6261265
CID 6261265
(2S)-2-hydroxypropanimidamide
CID 6347024
N,2-Dihydroxybutanimidamide
CID 21937318
(2R)-2-hydroxypropanimidamide
CID 40491059
N,2-Dihydroxypropanimidamide
CID 44537684
3,N-dihydroxy-butyramidine
CID 54561158
2-ethoxy-N'-hydroxypropanimidamide
CID 54593678
(2S)-2-hydroxypropaniMidaMide hydrochloride
CID 55289160
(Z)-N',3-dihydroxybutanimidamide
CID 57672741

Frequently Asked Questions

What is the IUPAC name of N',2-dihydroxypropanimidamide?
The IUPAC name of N',2-dihydroxypropanimidamide (CID 5063567) is N',2-dihydroxypropanimidamide.
What is the SMILES notation for N',2-dihydroxypropanimidamide?
The canonical SMILES for N',2-dihydroxypropanimidamide is CC(O)C(N)=NO.
What is the InChIKey of N',2-dihydroxypropanimidamide?
The InChIKey is TWQGERCRJDBWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-2(6)3(4)5-7/h2,6-7H,1H3,(H2,4,5).
What are the key properties of N',2-dihydroxypropanimidamide?
N',2-dihydroxypropanimidamide has a molecular weight of 104.11 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxypropanimidamide is sourced from PubChem (CID 5063567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).