1,1-dihydroxy-3-(3-hydroxypropylidene)urea

C4H8N2O4 — CID 154128870

IUPAC1,1-dihydroxy-3-(3-hydroxypropylidene)urea
SMILESO=C(N=CCCO)N(O)O
InChIInChI=1S/C4H8N2O4/c7-3-1-2-5-4(8)6(9)10/h2,7,9-10H,1,3H2
InChIKeyPHVBQOJSOKHJDL-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.36
Rot. Bonds2

About 1,1-dihydroxy-3-(3-hydroxypropylidene)urea

1,1-dihydroxy-3-(3-hydroxypropylidene)urea (PubChem CID 154128870) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 1,1-dihydroxy-3-(3-hydroxypropylidene)urea.

Molecular Properties

Compound Name1,1-dihydroxy-3-(3-hydroxypropylidene)urea
PubChem CID154128870
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name1,1-dihydroxy-3-(3-hydroxypropylidene)urea
SMILESO=C(N=CCCO)N(O)O
InChIInChI=1S/C4H8N2O4/c7-3-1-2-5-4(8)6(9)10/h2,7,9-10H,1,3H2
InChIKeyPHVBQOJSOKHJDL-UHFFFAOYSA-N
XLogP-0.36
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea
CID 141187058
ethyl N-(3-hydroxypropylidene)carbamate
CID 173139500
N-(3-hydroxypropylidene)formamide
CID 59877766
3-hydroxypropanal;hydrochloride
CID 87570947
N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride
CID 175311484
N-(2-hydroxyethyl)-N-(propan-2-ylideneamino)acetamide
CID 130126252
(E)-4-iodobut-3-en-1-ol
CID 10821775
3-phosphanylidenepropan-1-ol
CID 173494272
(E)-4-dimethylphosphorylbut-3-en-1-ol
CID 59068889
acetic acid;but-1-ene-1,4-diol
CID 57358224
ethane-1,2-diol;rhenium
CID 175749522
8-hydroxyoct-5-enoic acid
CID 86081855

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-3-(3-hydroxypropylidene)urea?
The IUPAC name of 1,1-dihydroxy-3-(3-hydroxypropylidene)urea (CID 154128870) is 1,1-dihydroxy-3-(3-hydroxypropylidene)urea.
What is the SMILES notation for 1,1-dihydroxy-3-(3-hydroxypropylidene)urea?
The canonical SMILES for 1,1-dihydroxy-3-(3-hydroxypropylidene)urea is O=C(N=CCCO)N(O)O.
What is the InChIKey of 1,1-dihydroxy-3-(3-hydroxypropylidene)urea?
The InChIKey is PHVBQOJSOKHJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c7-3-1-2-5-4(8)6(9)10/h2,7,9-10H,1,3H2.
What are the key properties of 1,1-dihydroxy-3-(3-hydroxypropylidene)urea?
1,1-dihydroxy-3-(3-hydroxypropylidene)urea has a molecular weight of 148.12 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxy-3-(3-hydroxypropylidene)urea is sourced from PubChem (CID 154128870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).