1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea

C4H8N6O4 — CID 19701

IUPAC1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea
SMILESCN(N=O)C(=O)NNC(=O)N(C)N=O
InChIInChI=1S/C4H8N6O4/c1-9(7-13)3(11)5-6-4(12)10(2)8-14/h1-2H3,(H,5,11)(H,6,12)
InChIKeyVWCDVSANFVCUOI-UHFFFAOYSA-N
MW204.15 g/mol
LogP-0.45
Rot. Bonds2

About 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea

1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea (PubChem CID 19701) has the molecular formula C4H8N6O4 and a molecular weight of 204.15 g/mol. Its IUPAC name is 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea.

Molecular Properties

Compound Name1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea
PubChem CID19701
Molecular FormulaC4H8N6O4
Molecular Weight204.15 g/mol
Exact Mass204.06
IUPAC Name1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea
SMILESCN(N=O)C(=O)NNC(=O)N(C)N=O
InChIInChI=1S/C4H8N6O4/c1-9(7-13)3(11)5-6-4(12)10(2)8-14/h1-2H3,(H,5,11)(H,6,12)
InChIKeyVWCDVSANFVCUOI-UHFFFAOYSA-N
XLogP-0.45
TPSA123.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea?
The IUPAC name of 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea (CID 19701) is 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea.
What is the SMILES notation for 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea?
The canonical SMILES for 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea is CN(N=O)C(=O)NNC(=O)N(C)N=O.
What is the InChIKey of 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea?
The InChIKey is VWCDVSANFVCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O4/c1-9(7-13)3(11)5-6-4(12)10(2)8-14/h1-2H3,(H,5,11)(H,6,12).
What are the key properties of 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea?
1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea has a molecular weight of 204.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[methyl(nitroso)carbamoyl]amino]-1-nitrosourea is sourced from PubChem (CID 19701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).