N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide

C12H18N4O3 — CID 139678290

IUPACN-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide
SMILESC#CCN1CCN(CC2COCC2C)C1=N[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-3-4-14-5-6-15(12(14)13-16(17)18)7-11-9-19-8-10(11)2/h1,10-11H,4-9H2,2H3
InChIKeyUUHKKSFSZRPRIU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.07
Rot. Bonds4

About N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide

N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide (PubChem CID 139678290) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide
PubChem CID139678290
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide
SMILESC#CCN1CCN(CC2COCC2C)C1=N[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-3-4-14-5-6-15(12(14)13-16(17)18)7-11-9-19-8-10(11)2/h1,10-11H,4-9H2,2H3
InChIKeyUUHKKSFSZRPRIU-UHFFFAOYSA-N
XLogP0.07
TPSA71.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-dimethylphosphoryl-3-[(4-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678586
N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide
CID 139678604
N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide
CID 139678677
N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide
CID 139678295
(4-methylphenyl) 3-[(4-methyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678475
N-[1-[2-(2,4-dimethylphenyl)ethenyl]-3-[(4-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678566
(3-chlorophenyl) 3-[(4-methyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678443
N-[1-(3,3-dimethylbutanoyl)-3-[(5-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678301
2-[chloro(nitro)methylidene]-1-methyl-3-[(4-methyloxolan-3-yl)methyl]-1,3-diazinane
CID 139703004
2-[fluoro(nitro)methylidene]-1-methyl-3-[(4-methyloxolan-3-yl)methyl]-1,3-diazinane
CID 139702993
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-ynyl-1,3,5-triazinan-2-ylidene]nitramide
CID 22450905
phenyl 3-[(5,5-dimethyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678769

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide (CID 139678290) is N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide is C#CCN1CCN(CC2COCC2C)C1=N[N+](=O)[O-].
What is the InChIKey of N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide?
The InChIKey is UUHKKSFSZRPRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-4-14-5-6-15(12(14)13-16(17)18)7-11-9-19-8-10(11)2/h1,10-11H,4-9H2,2H3.
What are the key properties of N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide?
N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide has a molecular weight of 266.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139678290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).