N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide

C18H24N4O3 — CID 139678295

IUPACN-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide
SMILESCc1ccc(C=CN2CCN(CC3COCC3C)C2=N[N+](=O)[O-])cc1
InChIInChI=1S/C18H24N4O3/c1-14-3-5-16(6-4-14)7-8-20-9-10-21(18(20)19-22(23)24)11-17-13-25-12-15(17)2/h3-8,15,17H,9-13H2,1-2H3
InChIKeyHYDPXLRZRSRFNM-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.41
Rot. Bonds5

About N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide

N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide (PubChem CID 139678295) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide
PubChem CID139678295
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide
SMILESCc1ccc(C=CN2CCN(CC3COCC3C)C2=N[N+](=O)[O-])cc1
InChIInChI=1S/C18H24N4O3/c1-14-3-5-16(6-4-14)7-8-20-9-10-21(18(20)19-22(23)24)11-17-13-25-12-15(17)2/h3-8,15,17H,9-13H2,1-2H3
InChIKeyHYDPXLRZRSRFNM-UHFFFAOYSA-N
XLogP2.41
TPSA71.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.41
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'}

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Related Compounds

N-[1-[2-(2,4-dimethylphenyl)ethenyl]-3-[(4-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678566
(4-methylphenyl) 3-[(4-methyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678475
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[2-(3-nitrophenyl)ethenyl]imidazolidin-2-ylidene]nitramide
CID 139678258
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
(3-chlorophenyl) 3-[(4-methyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678443
N-[1-[2-(2-nitrophenyl)ethenyl]-3-(oxolan-3-ylmethyl)imidazolidin-2-ylidene]nitramide
CID 139678759
N-[1-[2-(2-cyanophenyl)ethenyl]-3-[(5-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678702
N-[1-(3,3-dimethylbutanoyl)-3-[(5-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678301
3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 73056739
3-methyl-4-[(4-methylphenyl)sulfonylmethyl]oxolane
CID 10106376
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-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide (CID 139678295) is N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide is Cc1ccc(C=CN2CCN(CC3COCC3C)C2=N[N+](=O)[O-])cc1.
What is the InChIKey of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is HYDPXLRZRSRFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-3-5-16(6-4-14)7-8-20-9-10-21(18(20)19-22(23)24)11-17-13-25-12-15(17)2/h3-8,15,17H,9-13H2,1-2H3.
What are the key properties of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide?
N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 344.42 g/mol, XLogP of 2.41, 5 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-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139678295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).