(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide

C7H12N4O3 — CID 135804938

IUPAC(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
SMILESCCCC(=O)N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C7H12N4O3/c1-2-3-6(12)10-5-4-8-7(10)9-11(13)14/h2-5H2,1H3,(H,8,9)
InChIKeyFQGJIMZJQPADSW-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.23
Rot. Bonds3

About (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide

(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide (PubChem CID 135804938) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide.

Molecular Properties

Compound Name(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
PubChem CID135804938
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
SMILESCCCC(=O)N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C7H12N4O3/c1-2-3-6(12)10-5-4-8-7(10)9-11(13)14/h2-5H2,1H3,(H,8,9)
InChIKeyFQGJIMZJQPADSW-UHFFFAOYSA-N
XLogP-0.23
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide?
The IUPAC name of (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide (CID 135804938) is (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide.
What is the SMILES notation for (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide?
The canonical SMILES for (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide is CCCC(=O)N1CCN/C1=N/[N+](=O)[O-].
What is the InChIKey of (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide?
The InChIKey is FQGJIMZJQPADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-2-3-6(12)10-5-4-8-7(10)9-11(13)14/h2-5H2,1H3,(H,8,9).
What are the key properties of (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide?
(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide has a molecular weight of 200.20 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide is sourced from PubChem (CID 135804938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).