7-methoxy-1-propan-2-ylindolizine

C12H15NO — CID 130328073

IUPAC7-methoxy-1-propan-2-ylindolizine
SMILESCOc1ccn2ccc(C(C)C)c2c1
InChIInChI=1S/C12H15NO/c1-9(2)11-5-7-13-6-4-10(14-3)8-12(11)13/h4-9H,1-3H3
InChIKeyZWZMKBZJEKPABZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.07
Rot. Bonds2

About 7-methoxy-1-propan-2-ylindolizine

7-methoxy-1-propan-2-ylindolizine (PubChem CID 130328073) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-methoxy-1-propan-2-ylindolizine.

Molecular Properties

Compound Name7-methoxy-1-propan-2-ylindolizine
PubChem CID130328073
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name7-methoxy-1-propan-2-ylindolizine
SMILESCOc1ccn2ccc(C(C)C)c2c1
InChIInChI=1S/C12H15NO/c1-9(2)11-5-7-13-6-4-10(14-3)8-12(11)13/h4-9H,1-3H3
InChIKeyZWZMKBZJEKPABZ-UHFFFAOYSA-N
XLogP3.07
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-propan-2-ylindolizine?
The IUPAC name of 7-methoxy-1-propan-2-ylindolizine (CID 130328073) is 7-methoxy-1-propan-2-ylindolizine.
What is the SMILES notation for 7-methoxy-1-propan-2-ylindolizine?
The canonical SMILES for 7-methoxy-1-propan-2-ylindolizine is COc1ccn2ccc(C(C)C)c2c1.
What is the InChIKey of 7-methoxy-1-propan-2-ylindolizine?
The InChIKey is ZWZMKBZJEKPABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)11-5-7-13-6-4-10(14-3)8-12(11)13/h4-9H,1-3H3.
What are the key properties of 7-methoxy-1-propan-2-ylindolizine?
7-methoxy-1-propan-2-ylindolizine has a molecular weight of 189.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-propan-2-ylindolizine is sourced from PubChem (CID 130328073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).