4-hydroxybut-1-enylurea

C5H10N2O2 — CID 154208332

IUPAC4-hydroxybut-1-enylurea
SMILESNC(=O)NC=CCCO
InChIInChI=1S/C5H10N2O2/c6-5(9)7-3-1-2-4-8/h1,3,8H,2,4H2,(H3,6,7,9)
InChIKeyHQZPQRYZFKFLJA-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.45
Rot. Bonds3

About 4-hydroxybut-1-enylurea

4-hydroxybut-1-enylurea (PubChem CID 154208332) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 4-hydroxybut-1-enylurea.

Molecular Properties

Compound Name4-hydroxybut-1-enylurea
PubChem CID154208332
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name4-hydroxybut-1-enylurea
SMILESNC(=O)NC=CCCO
InChIInChI=1S/C5H10N2O2/c6-5(9)7-3-1-2-4-8/h1,3,8H,2,4H2,(H3,6,7,9)
InChIKeyHQZPQRYZFKFLJA-UHFFFAOYSA-N
XLogP-0.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-aminobut-1-enylurea;2-methylprop-2-enoic acid
CID 175016914
3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid
CID 140735978
[(1Z)-buta-1,3-dienyl]urea
CID 89155794
(E)-4-iodobut-3-en-1-ol
CID 10821775
methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
CID 58606445
N-carbamoylformamide;hydrate
CID 174813959
pent-1-enylcarbamothioic S-acid
CID 173191733
acetic acid;but-1-ene-1,4-diol
CID 57358224
(E)-4-dimethylphosphorylbut-3-en-1-ol
CID 59068889
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide
CID 141294013
8-hydroxyoct-5-enoic acid
CID 86081855

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybut-1-enylurea?
The IUPAC name of 4-hydroxybut-1-enylurea (CID 154208332) is 4-hydroxybut-1-enylurea.
What is the SMILES notation for 4-hydroxybut-1-enylurea?
The canonical SMILES for 4-hydroxybut-1-enylurea is NC(=O)NC=CCCO.
What is the InChIKey of 4-hydroxybut-1-enylurea?
The InChIKey is HQZPQRYZFKFLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-5(9)7-3-1-2-4-8/h1,3,8H,2,4H2,(H3,6,7,9).
What are the key properties of 4-hydroxybut-1-enylurea?
4-hydroxybut-1-enylurea has a molecular weight of 130.15 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybut-1-enylurea is sourced from PubChem (CID 154208332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).