1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea

C18H17N3O2 — CID 134888074

IUPAC1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea
SMILESCN(C)C(=O)N(N=O)C1C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-20(2)18(22)21(19-23)17-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,17H,1-2H3
InChIKeyPVFHRKQOIMRZOF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea

1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea (PubChem CID 134888074) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea.

Molecular Properties

Compound Name1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea
PubChem CID134888074
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea
SMILESCN(C)C(=O)N(N=O)C1C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-20(2)18(22)21(19-23)17-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,17H,1-2H3
InChIKeyPVFHRKQOIMRZOF-UHFFFAOYSA-N
XLogP3.64
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea 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

1,3-Dimethyl-1-(2-phenylethyl)-3-(3-phenylpropyl)urea
CID 137640887
Diaziridinone, bis(1,1-dimethyl-2-phenylethyl)-
CID 391928
3-Benzhydryl-1,1-dimethylurea
CID 2228466
N-Nitroso-N-(1-phenylethyl)urea
CID 149185
1,5-Dibenzyl-2,4-dimethyl-1,2,4,5-tetrazinane-3,6-dione
CID 339248
4-benzyl-1,3-dimethyl-5-phenyl-4H-pyrimidin-2-one
CID 16753232
1,1-Dibenzyl-3-ethyl-3-nitrosourea
CID 318689
N,N-dimethyl-2,4-diphenyl-2,5-dihydropyrrole-1-carboxamide
CID 10039998
N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide
CID 11222500
1-Benzhydryl-1,3-dimethylurea
CID 47127259
1-(2-Benzylpiperidin-1-yl)-1-propylurea
CID 54407183
N,N-dimethyl-3,5-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57940604

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea?
The IUPAC name of 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea (CID 134888074) is 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea.
What is the SMILES notation for 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea?
The canonical SMILES for 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea is CN(C)C(=O)N(N=O)C1C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea?
The InChIKey is PVFHRKQOIMRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20(2)18(22)21(19-23)17-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,17H,1-2H3.
What are the key properties of 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea?
1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea has a molecular weight of 307.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylcycloprop-2-en-1-yl)-3,3-dimethyl-1-nitrosourea is sourced from PubChem (CID 134888074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).