1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole

C9H15NO — CID 146573016

IUPAC1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole
SMILESCn1cccc1OC(C)(C)C
InChIInChI=1S/C9H15NO/c1-9(2,3)11-8-6-5-7-10(8)4/h5-7H,1-4H3
InChIKeyJNFKVVOUCWUNDY-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.20
Rot. Bonds1

About 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole

1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole (PubChem CID 146573016) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole
PubChem CID146573016
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole
SMILESCn1cccc1OC(C)(C)C
InChIInChI=1S/C9H15NO/c1-9(2,3)11-8-6-5-7-10(8)4/h5-7H,1-4H3
InChIKeyJNFKVVOUCWUNDY-UHFFFAOYSA-N
XLogP2.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole?
The IUPAC name of 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole (CID 146573016) is 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole.
What is the SMILES notation for 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole?
The canonical SMILES for 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole is Cn1cccc1OC(C)(C)C.
What is the InChIKey of 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole?
The InChIKey is JNFKVVOUCWUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)11-8-6-5-7-10(8)4/h5-7H,1-4H3.
What are the key properties of 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole?
1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole has a molecular weight of 153.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylpropan-2-yl)oxy]pyrrole is sourced from PubChem (CID 146573016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).