2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine

C18H15N3O2 — CID 169490577

IUPAC2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
SMILESCC1(c2cccc([N+](=O)[O-])c2)Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H15N3O2/c1-18(13-7-4-8-14(11-13)21(22)23)19-15-9-2-5-12-6-3-10-16(20-18)17(12)15/h2-11,19-20H,1H3
InChIKeySRUYGOHAIGXEAS-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.46
Rot. Bonds2

About 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine

2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine (PubChem CID 169490577) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine.

Molecular Properties

Compound Name2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
PubChem CID169490577
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
SMILESCC1(c2cccc([N+](=O)[O-])c2)Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H15N3O2/c1-18(13-7-4-8-14(11-13)21(22)23)19-15-9-2-5-12-6-3-10-16(20-18)17(12)15/h2-11,19-20H,1H3
InChIKeySRUYGOHAIGXEAS-UHFFFAOYSA-N
XLogP4.46
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,4,5,5-pentamethyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 10378183
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325
(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
CID 129396617
CID 174796132
CID 174796132
(3-nitrophenyl)phosphane
CID 101369545
1-methyl-3-nitrobenzene
CID 7422
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
dimethyl 2-methyl-2-(3-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 134935763
1-methyl-3-nitrobenzene chloride
CID 20509973
bis(3-nitrophenyl)diazene
CID 10858607
azane;1-methyl-3-nitrobenzene
CID 174504430
N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
CID 2963474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine?
The IUPAC name of 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine (CID 169490577) is 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine.
What is the SMILES notation for 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine?
The canonical SMILES for 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine is CC1(c2cccc([N+](=O)[O-])c2)Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine?
The InChIKey is SRUYGOHAIGXEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-18(13-7-4-8-14(11-13)21(22)23)19-15-9-2-5-12-6-3-10-16(20-18)17(12)15/h2-11,19-20H,1H3.
What are the key properties of 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine?
2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine has a molecular weight of 305.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine is sourced from PubChem (CID 169490577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).