(3-hydroxyiminobutan-2-ylideneamino)urea

C5H10N4O2 — CID 137209965

IUPAC(3-hydroxyiminobutan-2-ylideneamino)urea
SMILESCC(=NO)C(C)=NNC(N)=O
InChIInChI=1S/C5H10N4O2/c1-3(4(2)9-11)7-8-5(6)10/h11H,1-2H3,(H3,6,8,10)
InChIKeySKGAQBWQYAXCPU-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.12
Rot. Bonds2

About (3-hydroxyiminobutan-2-ylideneamino)urea

(3-hydroxyiminobutan-2-ylideneamino)urea (PubChem CID 137209965) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is (3-hydroxyiminobutan-2-ylideneamino)urea.

Molecular Properties

Compound Name(3-hydroxyiminobutan-2-ylideneamino)urea
PubChem CID137209965
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name(3-hydroxyiminobutan-2-ylideneamino)urea
SMILESCC(=NO)C(C)=NNC(N)=O
InChIInChI=1S/C5H10N4O2/c1-3(4(2)9-11)7-8-5(6)10/h11H,1-2H3,(H3,6,8,10)
InChIKeySKGAQBWQYAXCPU-UHFFFAOYSA-N
XLogP-0.12
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyiminobutan-2-ylideneamino)urea?
The IUPAC name of (3-hydroxyiminobutan-2-ylideneamino)urea (CID 137209965) is (3-hydroxyiminobutan-2-ylideneamino)urea.
What is the SMILES notation for (3-hydroxyiminobutan-2-ylideneamino)urea?
The canonical SMILES for (3-hydroxyiminobutan-2-ylideneamino)urea is CC(=NO)C(C)=NNC(N)=O.
What is the InChIKey of (3-hydroxyiminobutan-2-ylideneamino)urea?
The InChIKey is SKGAQBWQYAXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-3(4(2)9-11)7-8-5(6)10/h11H,1-2H3,(H3,6,8,10).
What are the key properties of (3-hydroxyiminobutan-2-ylideneamino)urea?
(3-hydroxyiminobutan-2-ylideneamino)urea has a molecular weight of 158.16 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyiminobutan-2-ylideneamino)urea is sourced from PubChem (CID 137209965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).