(4-methyl-2-nitropent-1-enyl)cyclopentane

C11H19NO2 — CID 76948794

IUPAC(4-methyl-2-nitropent-1-enyl)cyclopentane
SMILESCC(C)CC(=CC1CCCC1)[N+](=O)[O-]
InChIInChI=1S/C11H19NO2/c1-9(2)7-11(12(13)14)8-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3
InChIKeyWBZRFUYWGYQGTQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.38
Rot. Bonds4

About (4-methyl-2-nitropent-1-enyl)cyclopentane

(4-methyl-2-nitropent-1-enyl)cyclopentane (PubChem CID 76948794) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4-methyl-2-nitropent-1-enyl)cyclopentane.

Molecular Properties

Compound Name(4-methyl-2-nitropent-1-enyl)cyclopentane
PubChem CID76948794
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4-methyl-2-nitropent-1-enyl)cyclopentane
SMILESCC(C)CC(=CC1CCCC1)[N+](=O)[O-]
InChIInChI=1S/C11H19NO2/c1-9(2)7-11(12(13)14)8-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3
InChIKeyWBZRFUYWGYQGTQ-UHFFFAOYSA-N
XLogP3.38
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methyl-2-nitropent-1-enyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-nitropent-1-enyl)cyclopentane?
The IUPAC name of (4-methyl-2-nitropent-1-enyl)cyclopentane (CID 76948794) is (4-methyl-2-nitropent-1-enyl)cyclopentane.
What is the SMILES notation for (4-methyl-2-nitropent-1-enyl)cyclopentane?
The canonical SMILES for (4-methyl-2-nitropent-1-enyl)cyclopentane is CC(C)CC(=CC1CCCC1)[N+](=O)[O-].
What is the InChIKey of (4-methyl-2-nitropent-1-enyl)cyclopentane?
The InChIKey is WBZRFUYWGYQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)7-11(12(13)14)8-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of (4-methyl-2-nitropent-1-enyl)cyclopentane?
(4-methyl-2-nitropent-1-enyl)cyclopentane has a molecular weight of 197.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-nitropent-1-enyl)cyclopentane is sourced from PubChem (CID 76948794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).