1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea

C5H10N2O3 — CID 141187058

IUPAC1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea
SMILESO=C(N=CCCO)NCO
InChIInChI=1S/C5H10N2O3/c8-3-1-2-6-5(10)7-4-9/h2,8-9H,1,3-4H2,(H,7,10)
InChIKeyNLOWPXQKETVKKR-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.90
Rot. Bonds3

About 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea

1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea (PubChem CID 141187058) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea
PubChem CID141187058
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea
SMILESO=C(N=CCCO)NCO
InChIInChI=1S/C5H10N2O3/c8-3-1-2-6-5(10)7-4-9/h2,8-9H,1,3-4H2,(H,7,10)
InChIKeyNLOWPXQKETVKKR-UHFFFAOYSA-N
XLogP-0.90
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxy-3-(3-hydroxypropylidene)urea
CID 154128870
N-(3-hydroxypropylidene)formamide
CID 59877766
1,3-bis(hydroxymethyl)urea;hydrate
CID 139703272
CID 58589580
CID 58589580
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
1-ethylidene-3-tridec-3-enylurea
CID 141039012
N-(hydroxymethyl)carbamoyl chloride;hydrate
CID 173432235
hexylidenecarbamothioic S-acid
CID 91574516
1-ethylidene-3-(methoxymethyl)urea
CID 174418231
N-(hydroxymethyl)-3-oxopent-4-enamide
CID 20517920
4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
CID 91244020
3-hydroxypropanal;hydrochloride
CID 87570947

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea?
The IUPAC name of 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea (CID 141187058) is 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea.
What is the SMILES notation for 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea?
The canonical SMILES for 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea is O=C(N=CCCO)NCO.
What is the InChIKey of 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea?
The InChIKey is NLOWPXQKETVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c8-3-1-2-6-5(10)7-4-9/h2,8-9H,1,3-4H2,(H,7,10).
What are the key properties of 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea?
1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea has a molecular weight of 146.15 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-(3-hydroxypropylidene)urea is sourced from PubChem (CID 141187058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).