1-[3-(2-methoxyethoxy)propyl]-7-nitroindole

C14H18N2O4 — CID 103413364

IUPAC1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
SMILESCOCCOCCCn1ccc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C14H18N2O4/c1-19-10-11-20-9-3-7-15-8-6-12-4-2-5-13(14(12)15)16(17)18/h2,4-6,8H,3,7,9-11H2,1H3
InChIKeyCKEPFQWWQVAOKT-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.60
Rot. Bonds8

About 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole

1-[3-(2-methoxyethoxy)propyl]-7-nitroindole (PubChem CID 103413364) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
PubChem CID103413364
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
SMILESCOCCOCCCn1ccc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C14H18N2O4/c1-19-10-11-20-9-3-7-15-8-6-12-4-2-5-13(14(12)15)16(17)18/h2,4-6,8H,3,7,9-11H2,1H3
InChIKeyCKEPFQWWQVAOKT-UHFFFAOYSA-N
XLogP2.60
TPSA66.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(7-nitroindol-1-yl)hexan-1-ol
CID 107707117
1-(3-methylsulfonylpropyl)-7-nitroindole
CID 115874242
N,N-dimethyl-4-(7-nitroindol-1-yl)butanamide
CID 114936098
ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
1-[3-(2-methoxyethoxy)propyl]-5-nitroindole
CID 103413318
1-but-3-enyl-7-nitroindole
CID 114936238
1-(3,3-diethoxypropyl)-7-nitroindole
CID 114936003
1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid
CID 103180658
ethyl formate;1-(methoxymethyl)-7-nitroindole
CID 174597081
N-cyclopropyl-3-(7-nitroindol-1-yl)propanamide
CID 114936168
1-(2-methylprop-2-enyl)-7-nitroindole
CID 114936103
1-[2-(1-methylpyrazol-4-yl)ethyl]-7-nitroindole
CID 103015566

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole (CID 103413364) is 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole is COCCOCCCn1ccc2cccc([N+](=O)[O-])c21.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole?
The InChIKey is CKEPFQWWQVAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-10-11-20-9-3-7-15-8-6-12-4-2-5-13(14(12)15)16(17)18/h2,4-6,8H,3,7,9-11H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole?
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole has a molecular weight of 278.31 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-7-nitroindole is sourced from PubChem (CID 103413364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).