1-hydroxybut-3-en-2-ylurea

C5H10N2O2 — CID 88808839

IUPAC1-hydroxybut-3-en-2-ylurea
SMILESC=CC(CO)NC(N)=O
InChIInChI=1S/C5H10N2O2/c1-2-4(3-8)7-5(6)9/h2,4,8H,1,3H2,(H3,6,7,9)
InChIKeyCEOSQLNYLMHDJK-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.80
Rot. Bonds3

About 1-hydroxybut-3-en-2-ylurea

1-hydroxybut-3-en-2-ylurea (PubChem CID 88808839) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-hydroxybut-3-en-2-ylurea.

Molecular Properties

Compound Name1-hydroxybut-3-en-2-ylurea
PubChem CID88808839
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-hydroxybut-3-en-2-ylurea
SMILESC=CC(CO)NC(N)=O
InChIInChI=1S/C5H10N2O2/c1-2-4(3-8)7-5(6)9/h2,4,8H,1,3H2,(H3,6,7,9)
InChIKeyCEOSQLNYLMHDJK-UHFFFAOYSA-N
XLogP-0.80
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 ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate
CID 55299333
2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
CID 154931454
2-(2-hydroxyethylamino)but-3-en-1-ol
CID 19018089
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)but-3-enamide
CID 145090101
ethyl N-(5-hydroxypent-1-en-3-yl)carbamate
CID 45122936
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol
CID 169181829
4-(1-hydroxybut-3-en-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027620
3-(hydroxymethyl)-2-methylpent-4-enamide
CID 175989379
1-ethenoxyethylurea
CID 19078685
ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
CID 142796678
(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybut-3-en-2-ylurea?
The IUPAC name of 1-hydroxybut-3-en-2-ylurea (CID 88808839) is 1-hydroxybut-3-en-2-ylurea.
What is the SMILES notation for 1-hydroxybut-3-en-2-ylurea?
The canonical SMILES for 1-hydroxybut-3-en-2-ylurea is C=CC(CO)NC(N)=O.
What is the InChIKey of 1-hydroxybut-3-en-2-ylurea?
The InChIKey is CEOSQLNYLMHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-4(3-8)7-5(6)9/h2,4,8H,1,3H2,(H3,6,7,9).
What are the key properties of 1-hydroxybut-3-en-2-ylurea?
1-hydroxybut-3-en-2-ylurea has a molecular weight of 130.15 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybut-3-en-2-ylurea is sourced from PubChem (CID 88808839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).