1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine

C14H13N5O2 — CID 171774724

IUPAC1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine
SMILES[H]/N=C(\N)N=CC=Cc1cccn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N5O2/c15-14(16)17-9-3-5-11-6-4-10-18(11)12-7-1-2-8-13(12)19(20)21/h1-10H,(H3,15,16)
InChIKeyNVWWXBODKLYOEC-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine

1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine (PubChem CID 171774724) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine.

Molecular Properties

Compound Name1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine
PubChem CID171774724
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine
SMILES[H]/N=C(\N)N=CC=Cc1cccn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N5O2/c15-14(16)17-9-3-5-11-6-4-10-18(11)12-7-1-2-8-13(12)19(20)21/h1-10H,(H3,15,16)
InChIKeyNVWWXBODKLYOEC-UHFFFAOYSA-N
XLogP2.36
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-amino-1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine;formic acid
CID 175837601
hexanedioic acid;2-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylideneamino]guanidine
CID 175818814
bis(amino-carbamimidoyl-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]azanium);butanedioate
CID 171480537
carbamohydrazonoyl-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]azanium formate
CID 166569838
2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine
CID 74831606
1-(2-nitrophenyl)pyrrole-2-carboxamide
CID 172778071
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;2-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylideneamino]guanidine
CID 175818881
[(N'-methylcarbamimidoyl)amino]-methylidene-[1-(2-nitrophenyl)pyrrol-2-yl]azanium
CID 91241973
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
ethane;1-[1-(2-nitrophenyl)pyrrol-2-yl]ethanone;prop-1-ene
CID 90730072
2-methyl-3-(2-nitrophenoxy)propanimidamide
CID 114995802
1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
CID 150782131

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine?
The IUPAC name of 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine (CID 171774724) is 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine.
What is the SMILES notation for 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine?
The canonical SMILES for 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine is [H]/N=C(\N)N=CC=Cc1cccn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine?
The InChIKey is NVWWXBODKLYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-14(16)17-9-3-5-11-6-4-10-18(11)12-7-1-2-8-13(12)19(20)21/h1-10H,(H3,15,16).
What are the key properties of 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine?
1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine has a molecular weight of 283.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine is sourced from PubChem (CID 171774724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).