(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C9H19NO — CID 94408814

IUPAC(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OC[C@H]1CCNC1
InChIInChI=1S/C9H19NO/c1-9(2,3)11-7-8-4-5-10-6-8/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeySYADVNJMKHNDIL-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds2

About (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 94408814) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID94408814
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OC[C@H]1CCNC1
InChIInChI=1S/C9H19NO/c1-9(2,3)11-7-8-4-5-10-6-8/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeySYADVNJMKHNDIL-QMMMGPOBSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
2-methyl-1-(pyrrolidin-3-ylmethoxy)propan-2-ol
CID 106939814
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
CID 117104669
(3R)-3-(1-fluoroethoxymethyl)pyrrolidine
CID 177026365
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 94408814) is (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is SYADVNJMKHNDIL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)11-7-8-4-5-10-6-8/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 94408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).