2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine

C15H20N2O4 — CID 104510248

IUPAC2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine
SMILESCOc1cc(CC2(N)CCOC2C2CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-10(6-12(8-13)17(18)19)9-15(16)4-5-21-14(15)11-2-3-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyBTCGDLPCEZRUPW-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.04
Rot. Bonds5

About 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine

2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine (PubChem CID 104510248) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine
PubChem CID104510248
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine
SMILESCOc1cc(CC2(N)CCOC2C2CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-10(6-12(8-13)17(18)19)9-15(16)4-5-21-14(15)11-2-3-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyBTCGDLPCEZRUPW-UHFFFAOYSA-N
XLogP2.04
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine (CID 104510248) is 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine is COc1cc(CC2(N)CCOC2C2CC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine?
The InChIKey is BTCGDLPCEZRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-13-7-10(6-12(8-13)17(18)19)9-15(16)4-5-21-14(15)11-2-3-11/h6-8,11,14H,2-5,9,16H2,1H3.
What are the key properties of 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine?
2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine has a molecular weight of 292.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 104510248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).