1-(nitrosomethoxy)ethylurea

C4H9N3O3 — CID 21121231

IUPAC1-(nitrosomethoxy)ethylurea
SMILESCC(NC(N)=O)OCN=O
InChIInChI=1S/C4H9N3O3/c1-3(7-4(5)8)10-2-6-9/h3H,2H2,1H3,(H3,5,7,8)
InChIKeyZBKBAVQVAZYMPO-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.26
Rot. Bonds4

About 1-(nitrosomethoxy)ethylurea

1-(nitrosomethoxy)ethylurea (PubChem CID 21121231) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-(nitrosomethoxy)ethylurea.

Molecular Properties

Compound Name1-(nitrosomethoxy)ethylurea
PubChem CID21121231
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1-(nitrosomethoxy)ethylurea
SMILESCC(NC(N)=O)OCN=O
InChIInChI=1S/C4H9N3O3/c1-3(7-4(5)8)10-2-6-9/h3H,2H2,1H3,(H3,5,7,8)
InChIKeyZBKBAVQVAZYMPO-UHFFFAOYSA-N
XLogP-0.26
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
1-ethenoxyethylurea
CID 19078685
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
1-sulfanylpropan-2-ylurea
CID 89224596
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
N-carbamoyl-2-propan-2-yloxyacetamide
CID 112604296
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
1-dimethoxysilylethylurea
CID 154078118
1-(dimethylamino)ethylurea
CID 169101887
2-propan-2-yloxyethylurea
CID 22179539
2-(carbamoylamino)-N-(2-methoxyethoxy)propanamide
CID 79676152

Frequently Asked Questions

What is the IUPAC name of 1-(nitrosomethoxy)ethylurea?
The IUPAC name of 1-(nitrosomethoxy)ethylurea (CID 21121231) is 1-(nitrosomethoxy)ethylurea.
What is the SMILES notation for 1-(nitrosomethoxy)ethylurea?
The canonical SMILES for 1-(nitrosomethoxy)ethylurea is CC(NC(N)=O)OCN=O.
What is the InChIKey of 1-(nitrosomethoxy)ethylurea?
The InChIKey is ZBKBAVQVAZYMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-3(7-4(5)8)10-2-6-9/h3H,2H2,1H3,(H3,5,7,8).
What are the key properties of 1-(nitrosomethoxy)ethylurea?
1-(nitrosomethoxy)ethylurea has a molecular weight of 147.13 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(nitrosomethoxy)ethylurea is sourced from PubChem (CID 21121231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).