2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone

C20H19NO3 — CID 24938484

IUPAC2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone
SMILESO=C(CC1CCC/C1=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-20(16-7-2-1-3-8-16)14-18-10-5-9-17(18)12-15-6-4-11-19(13-15)21(23)24/h1-4,6-8,11-13,18H,5,9-10,14H2/b17-12-
InChIKeyLPCIABFRAZGYMK-ATVHPVEESA-N
MW321.38 g/mol
LogP5.05
Rot. Bonds5

About 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone

2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone (PubChem CID 24938484) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone
PubChem CID24938484
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone
SMILESO=C(CC1CCC/C1=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-20(16-7-2-1-3-8-16)14-18-10-5-9-17(18)12-15-6-4-11-19(13-15)21(23)24/h1-4,6-8,11-13,18H,5,9-10,14H2/b17-12-
InChIKeyLPCIABFRAZGYMK-ATVHPVEESA-N
XLogP5.05
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
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'}

Analyze 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone 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

2-[(2E)-2-[(3-methoxyphenyl)methylidene]cyclopentyl]-1-phenylethanone
CID 23642763
2-[4-[(3-nitrophenyl)methylidene]cyclohexyl]-1-pyridin-3-ylethanone
CID 158801310
benzoic acid;3-nitrobenzaldehyde
CID 174639246
(5Z)-5-[(3-nitrophenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 18847894
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350
2-cyclopentylsulfanyl-1-(3-nitrophenyl)ethanone
CID 63115450
2-[(3-nitrophenyl)methylidene]cycloheptane-1,3-dione
CID 21436724
4-formylbenzoic acid;3-nitrobenzaldehyde
CID 87574324
(2Z)-2-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 19958941
1-(2-amino-2,4,5,6,7,7a-hexahydro-1-benzothiophen-3-yl)-3-(3-nitrophenyl)propane-1,3-dione
CID 171935687
(E)-3-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 122399973
2,3-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 164714424

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone?
The IUPAC name of 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone (CID 24938484) is 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone.
What is the SMILES notation for 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone?
The canonical SMILES for 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone is O=C(CC1CCC/C1=C/c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone?
The InChIKey is LPCIABFRAZGYMK-ATVHPVEESA-N. The full InChI is InChI=1S/C20H19NO3/c22-20(16-7-2-1-3-8-16)14-18-10-5-9-17(18)12-15-6-4-11-19(13-15)21(23)24/h1-4,6-8,11-13,18H,5,9-10,14H2/b17-12-.
What are the key properties of 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone?
2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone has a molecular weight of 321.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3-nitrophenyl)methylidene]cyclopentyl]-1-phenylethanone is sourced from PubChem (CID 24938484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).