5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one

C15H12N4O3 — CID 91547396

IUPAC5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=C2CC2)c1=Cc1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C15H12N4O3/c20-15-12(14(17-18-15)8-1-2-8)7-10-5-9-6-11(19(21)22)3-4-13(9)16-10/h3-7,16-17H,1-2H2,(H,18,20)
InChIKeyVQKFGTIHADHNBP-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.87
Rot. Bonds2

About 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one

5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one (PubChem CID 91547396) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one.

Molecular Properties

Compound Name5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one
PubChem CID91547396
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one
SMILESO=c1[nH][nH]c(=C2CC2)c1=Cc1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C15H12N4O3/c20-15-12(14(17-18-15)8-1-2-8)7-10-5-9-6-11(19(21)22)3-4-13(9)16-10/h3-7,16-17H,1-2H2,(H,18,20)
InChIKeyVQKFGTIHADHNBP-UHFFFAOYSA-N
XLogP0.87
TPSA107.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
ethane;2-methoxy-2-methylpropane;5-nitro-1H-indole-2-carbaldehyde
CID 144901527
5-nitro-2-propyl-1H-indole
CID 12026883
N-(2-formyl-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide
CID 89298247
ethyl 2-(5-nitro-1H-indol-2-yl)acetate
CID 101024398
5-nitro-2-[4-[(4-nitrophenyl)methyl]phenyl]-1H-indole
CID 15534182
1H-indole;5-nitro-1H-indole
CID 172790290
1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione
CID 19074506
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
bis[3-(5-nitro-1H-indol-2-yl)phenyl]methanone
CID 139625310
2-(1-benzofuran-2-yl)-5-nitro-1H-indole
CID 131869216
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one?
The IUPAC name of 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one (CID 91547396) is 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one.
What is the SMILES notation for 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one?
The canonical SMILES for 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one is O=c1[nH][nH]c(=C2CC2)c1=Cc1cc2cc([N+](=O)[O-])ccc2[nH]1.
What is the InChIKey of 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one?
The InChIKey is VQKFGTIHADHNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-15-12(14(17-18-15)8-1-2-8)7-10-5-9-6-11(19(21)22)3-4-13(9)16-10/h3-7,16-17H,1-2H2,(H,18,20).
What are the key properties of 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one?
5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one has a molecular weight of 296.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-4-[(5-nitro-1H-indol-2-yl)methylidene]pyrazolidin-3-one is sourced from PubChem (CID 91547396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).