3-methoxy-1-propan-2-ylpyrrole

C8H13NO — CID 167613624

IUPAC3-methoxy-1-propan-2-ylpyrrole
SMILESCOc1ccn(C(C)C)c1
InChIInChI=1S/C8H13NO/c1-7(2)9-5-4-8(6-9)10-3/h4-7H,1-3H3
InChIKeyIYCONXRKUJHLQE-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.08
Rot. Bonds2

About 3-methoxy-1-propan-2-ylpyrrole

3-methoxy-1-propan-2-ylpyrrole (PubChem CID 167613624) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name3-methoxy-1-propan-2-ylpyrrole
PubChem CID167613624
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methoxy-1-propan-2-ylpyrrole
SMILESCOc1ccn(C(C)C)c1
InChIInChI=1S/C8H13NO/c1-7(2)9-5-4-8(6-9)10-3/h4-7H,1-3H3
InChIKeyIYCONXRKUJHLQE-UHFFFAOYSA-N
XLogP2.08
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-ylpyrrole?
The IUPAC name of 3-methoxy-1-propan-2-ylpyrrole (CID 167613624) is 3-methoxy-1-propan-2-ylpyrrole.
What is the SMILES notation for 3-methoxy-1-propan-2-ylpyrrole?
The canonical SMILES for 3-methoxy-1-propan-2-ylpyrrole is COc1ccn(C(C)C)c1.
What is the InChIKey of 3-methoxy-1-propan-2-ylpyrrole?
The InChIKey is IYCONXRKUJHLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)9-5-4-8(6-9)10-3/h4-7H,1-3H3.
What are the key properties of 3-methoxy-1-propan-2-ylpyrrole?
3-methoxy-1-propan-2-ylpyrrole has a molecular weight of 139.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-ylpyrrole is sourced from PubChem (CID 167613624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).