1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane

C10H17NO2 — CID 163715770

IUPAC1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane
SMILESCC(C1CC1CCC1CC1)[N+](=O)[O-]
InChIInChI=1S/C10H17NO2/c1-7(11(12)13)10-6-9(10)5-4-8-2-3-8/h7-10H,2-6H2,1H3
InChIKeyKNEVZQCVHCAYAM-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane

1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane (PubChem CID 163715770) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane
PubChem CID163715770
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane
SMILESCC(C1CC1CCC1CC1)[N+](=O)[O-]
InChIInChI=1S/C10H17NO2/c1-7(11(12)13)10-6-9(10)5-4-8-2-3-8/h7-10H,2-6H2,1H3
InChIKeyKNEVZQCVHCAYAM-UHFFFAOYSA-N
XLogP2.48
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.48
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 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane 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

3-nitropropylcyclopropane
CID 147361144
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
4-(1-nitroethyl)thiane 1,1-dioxide
CID 105460330
2-nitroethylcyclohexane
CID 11126523
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
2-cyclopropylethylcyclopropane;ethene
CID 174963089
2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
2-methyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 107896549
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane?
The IUPAC name of 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane (CID 163715770) is 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane.
What is the SMILES notation for 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane?
The canonical SMILES for 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane is CC(C1CC1CCC1CC1)[N+](=O)[O-].
What is the InChIKey of 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane?
The InChIKey is KNEVZQCVHCAYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(11(12)13)10-6-9(10)5-4-8-2-3-8/h7-10H,2-6H2,1H3.
What are the key properties of 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane?
1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane has a molecular weight of 183.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-2-(1-nitroethyl)cyclopropane is sourced from PubChem (CID 163715770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).