[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea

C2H8N3O3P — CID 175264763

IUPAC[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea
SMILESCP(O)(O)=NNC(N)=O
InChIInChI=1S/C2H8N3O3P/c1-9(7,8)5-4-2(3)6/h7-8H,1H3,(H3,3,4,6)
InChIKeyMRVNXPXIIMFLCS-UHFFFAOYSA-N
MW153.08 g/mol
LogP-0.78
Rot. Bonds1

About [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea

[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea (PubChem CID 175264763) has the molecular formula C2H8N3O3P and a molecular weight of 153.08 g/mol. Its IUPAC name is [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea.

Molecular Properties

Compound Name[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea
PubChem CID175264763
Molecular FormulaC2H8N3O3P
Molecular Weight153.08 g/mol
Exact Mass153.03
IUPAC Name[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea
SMILESCP(O)(O)=NNC(N)=O
InChIInChI=1S/C2H8N3O3P/c1-9(7,8)5-4-2(3)6/h7-8H,1H3,(H3,3,4,6)
InChIKeyMRVNXPXIIMFLCS-UHFFFAOYSA-N
XLogP-0.78
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea
CID 174597157
[(E)-2-oxopropylideneamino]urea
CID 13238217
(1-aminoethylideneamino)urea
CID 85436939
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
[(E)-2-oxobutylideneamino]urea
CID 55288593
(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
CID 119098074
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
[(E)-1-chlorobutan-2-ylideneamino]urea
CID 55303693
fluorophosphonic acid;methylurea
CID 173044631
N-(aminomethyl)-methylphosphonamidic acid
CID 122549198
(3-hydroxyiminobutan-2-ylideneamino)urea
CID 137209965

Frequently Asked Questions

What is the IUPAC name of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea?
The IUPAC name of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea (CID 175264763) is [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea.
What is the SMILES notation for [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea?
The canonical SMILES for [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea is CP(O)(O)=NNC(N)=O.
What is the InChIKey of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea?
The InChIKey is MRVNXPXIIMFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N3O3P/c1-9(7,8)5-4-2(3)6/h7-8H,1H3,(H3,3,4,6).
What are the key properties of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea?
[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea has a molecular weight of 153.08 g/mol, XLogP of -0.78, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea is sourced from PubChem (CID 175264763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).