1-(2-methylpropoxy)pyrrolidine

C8H17NO — CID 59706115

IUPAC1-(2-methylpropoxy)pyrrolidine
SMILESCC(C)CON1CCCC1
InChIInChI=1S/C8H17NO/c1-8(2)7-10-9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyRRNIULKNEVRRHE-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.67
Rot. Bonds3

About 1-(2-methylpropoxy)pyrrolidine

1-(2-methylpropoxy)pyrrolidine (PubChem CID 59706115) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(2-methylpropoxy)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropoxy)pyrrolidine
PubChem CID59706115
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(2-methylpropoxy)pyrrolidine
SMILESCC(C)CON1CCCC1
InChIInChI=1S/C8H17NO/c1-8(2)7-10-9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyRRNIULKNEVRRHE-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethoxypyrrolidine
CID 22475124
2-(3-Fluoropropyl)-4-propan-2-yl-1,2-oxazolidine
CID 170950660
Butylisoxazolidine
CID 126994308
Propoxy pyrrolidine
CID 18342685
2-methyl-N-(2-methylpropyl)-N-propoxypropan-1-amine
CID 19988559
N-butyl-N-ethoxybutan-1-amine
CID 19988563
N-butyl-N-propoxybutan-1-amine
CID 19988571
N-ethyl-N-(2-methylpropoxy)ethanamine
CID 19988573
2,4-Dimethyl-1,2-oxazolidine
CID 23056416
1-[(2-Methylpropan-2-yl)oxy]pyrrolidine
CID 45789949
1-Butoxypyrrolidine
CID 57497521
1-Pentoxypyrrolidine
CID 57497529

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)pyrrolidine?
The IUPAC name of 1-(2-methylpropoxy)pyrrolidine (CID 59706115) is 1-(2-methylpropoxy)pyrrolidine.
What is the SMILES notation for 1-(2-methylpropoxy)pyrrolidine?
The canonical SMILES for 1-(2-methylpropoxy)pyrrolidine is CC(C)CON1CCCC1.
What is the InChIKey of 1-(2-methylpropoxy)pyrrolidine?
The InChIKey is RRNIULKNEVRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)7-10-9-5-3-4-6-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)pyrrolidine?
1-(2-methylpropoxy)pyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)pyrrolidine is sourced from PubChem (CID 59706115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).