1-cyclopropyl-3-methyl-1-nitrosourea

C5H9N3O2 — CID 139944724

IUPAC1-cyclopropyl-3-methyl-1-nitrosourea
SMILESCNC(=O)N(N=O)C1CC1
InChIInChI=1S/C5H9N3O2/c1-6-5(9)8(7-10)4-2-3-4/h4H,2-3H2,1H3,(H,6,9)
InChIKeyNWYOMMAUCJFTRJ-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.47
Rot. Bonds2

About 1-cyclopropyl-3-methyl-1-nitrosourea

1-cyclopropyl-3-methyl-1-nitrosourea (PubChem CID 139944724) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-1-nitrosourea.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-1-nitrosourea
PubChem CID139944724
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-cyclopropyl-3-methyl-1-nitrosourea
SMILESCNC(=O)N(N=O)C1CC1
InChIInChI=1S/C5H9N3O2/c1-6-5(9)8(7-10)4-2-3-4/h4H,2-3H2,1H3,(H,6,9)
InChIKeyNWYOMMAUCJFTRJ-UHFFFAOYSA-N
XLogP0.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-cyclobutyl-N-nitrosoacetamide
CID 119097713
[4-[2-fluoroethylcarbamoyl(nitroso)amino]cyclohexyl]methyl acetate
CID 24847556
1-cyclobutyl-1,3-dimethylurea
CID 66861755
1-tert-butyl-3-methyl-1-nitrosourea
CID 158658665
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
1-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-dimethylurea
CID 91351399
2-[[cyclohexyl(nitroso)carbamoyl]amino]ethyl-trimethylazanium;4-methylbenzenesulfonate
CID 13379066
1,3-dicyclopropyl-1-sulfanylurea
CID 88797828
2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
CID 79467903
N-cyclopentyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122448
tert-butyl N-cyclohexyl-N-(methylcarbamoyl)carbamate
CID 141116131
1-cyclobutyl-1,2,3-trimethylguanidine
CID 131097015

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-1-nitrosourea?
The IUPAC name of 1-cyclopropyl-3-methyl-1-nitrosourea (CID 139944724) is 1-cyclopropyl-3-methyl-1-nitrosourea.
What is the SMILES notation for 1-cyclopropyl-3-methyl-1-nitrosourea?
The canonical SMILES for 1-cyclopropyl-3-methyl-1-nitrosourea is CNC(=O)N(N=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-1-nitrosourea?
The InChIKey is NWYOMMAUCJFTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-6-5(9)8(7-10)4-2-3-4/h4H,2-3H2,1H3,(H,6,9).
What are the key properties of 1-cyclopropyl-3-methyl-1-nitrosourea?
1-cyclopropyl-3-methyl-1-nitrosourea has a molecular weight of 143.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-1-nitrosourea is sourced from PubChem (CID 139944724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).