2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine

C14H17N3O3 — CID 12035120

IUPAC2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine
SMILESCOc1ccc2c(n1)c(CC[N+](=O)[O-])c1n2CCCC1
InChIInChI=1S/C14H17N3O3/c1-20-13-6-5-12-14(15-13)10(7-9-17(18)19)11-4-2-3-8-16(11)12/h5-6H,2-4,7-9H2,1H3
InChIKeyDOETVYYZUCFSJR-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.20
Rot. Bonds4

About 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine

2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine (PubChem CID 12035120) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine.

Molecular Properties

Compound Name2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine
PubChem CID12035120
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine
SMILESCOc1ccc2c(n1)c(CC[N+](=O)[O-])c1n2CCCC1
InChIInChI=1S/C14H17N3O3/c1-20-13-6-5-12-14(15-13)10(7-9-17(18)19)11-4-2-3-8-16(11)12/h5-6H,2-4,7-9H2,1H3
InChIKeyDOETVYYZUCFSJR-UHFFFAOYSA-N
XLogP2.20
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
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'}

Analyze 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine 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 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
The IUPAC name of 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine (CID 12035120) is 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine.
What is the SMILES notation for 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
The canonical SMILES for 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine is COc1ccc2c(n1)c(CC[N+](=O)[O-])c1n2CCCC1.
What is the InChIKey of 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
The InChIKey is DOETVYYZUCFSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-13-6-5-12-14(15-13)10(7-9-17(18)19)11-4-2-3-8-16(11)12/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine?
2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine has a molecular weight of 275.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10-(2-nitroethyl)-6,7,8,9-tetrahydropyrido[2,3-b]indolizine is sourced from PubChem (CID 12035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).