2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine

C13H14N6O2 — CID 74831606

IUPAC2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine
SMILESC/N=C(\N)NN=Cc1cccn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N6O2/c1-15-13(14)17-16-9-10-5-4-8-18(10)11-6-2-3-7-12(11)19(20)21/h2-9H,1H3,(H3,14,15,17)
InChIKeyMQDNIOLJMZBUEB-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.25
Rot. Bonds4

About 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine

2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine (PubChem CID 74831606) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine
PubChem CID74831606
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine
SMILESC/N=C(\N)NN=Cc1cccn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N6O2/c1-15-13(14)17-16-9-10-5-4-8-18(10)11-6-2-3-7-12(11)19(20)21/h2-9H,1H3,(H3,14,15,17)
InChIKeyMQDNIOLJMZBUEB-UHFFFAOYSA-N
XLogP1.25
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

[(N'-methylcarbamimidoyl)amino]-methylidene-[1-(2-nitrophenyl)pyrrol-2-yl]azanium
CID 91241973
N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126110373
N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4019273
1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine
CID 171774724
2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 4244555
1-(2-nitrophenyl)pyrrole-2-carboxamide
CID 172778071
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741
2-amino-1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine;formic acid
CID 175837601
carbamohydrazonoyl-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]azanium formate
CID 166569838
[(1-phenylpyrrol-2-yl)methylideneamino]thiourea
CID 957187
hexanedioic acid;2-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylideneamino]guanidine
CID 175818814
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine?
The IUPAC name of 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine (CID 74831606) is 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine?
The canonical SMILES for 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine is C/N=C(\N)NN=Cc1cccn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine?
The InChIKey is MQDNIOLJMZBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-15-13(14)17-16-9-10-5-4-8-18(10)11-6-2-3-7-12(11)19(20)21/h2-9H,1H3,(H3,14,15,17).
What are the key properties of 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine?
2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine has a molecular weight of 286.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine is sourced from PubChem (CID 74831606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).