1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole

C9H17NO — CID 177216871

IUPAC1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole
SMILESCC(C)OCC1=CCCN1C
InChIInChI=1S/C9H17NO/c1-8(2)11-7-9-5-4-6-10(9)3/h5,8H,4,6-7H2,1-3H3
InChIKeyKEXBPWOEXFIULQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds3

About 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole

1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole (PubChem CID 177216871) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole
PubChem CID177216871
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole
SMILESCC(C)OCC1=CCCN1C
InChIInChI=1S/C9H17NO/c1-8(2)11-7-9-5-4-6-10(9)3/h5,8H,4,6-7H2,1-3H3
InChIKeyKEXBPWOEXFIULQ-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole (CID 177216871) is 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole is CC(C)OCC1=CCCN1C.
What is the InChIKey of 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole?
The InChIKey is KEXBPWOEXFIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)11-7-9-5-4-6-10(9)3/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole?
1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole has a molecular weight of 155.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(propan-2-yloxymethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 177216871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).