N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide

C9H16N4O3 — CID 139703759

IUPACN-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide
SMILESCC(C1CCCO1)N1CCNC1=N[N+](=O)[O-]
InChIInChI=1S/C9H16N4O3/c1-7(8-3-2-6-16-8)12-5-4-10-9(12)11-13(14)15/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyNOPKNRRUVVUVBU-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.01
Rot. Bonds3

About N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide

N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide (PubChem CID 139703759) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide
PubChem CID139703759
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide
SMILESCC(C1CCCO1)N1CCNC1=N[N+](=O)[O-]
InChIInChI=1S/C9H16N4O3/c1-7(8-3-2-6-16-8)12-5-4-10-9(12)11-13(14)15/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyNOPKNRRUVVUVBU-UHFFFAOYSA-N
XLogP0.01
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244374
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 61147056
3,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64945119
3-ethyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64924459
5-methyl-3-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylimidazolidin-4-one
CID 83243781
5-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80782028
3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64960448
4-[1-(oxolan-2-yl)ethyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896144
1-N-methyl-5-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80780888
1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 64942765
3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
CID 43421926

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide (CID 139703759) is N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide is CC(C1CCCO1)N1CCNC1=N[N+](=O)[O-].
What is the InChIKey of N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is NOPKNRRUVVUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7(8-3-2-6-16-8)12-5-4-10-9(12)11-13(14)15/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide?
N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 228.25 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139703759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).