1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine

C9H18NO2- — CID 163694484

IUPAC1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCC1CCCN1[O-]
InChIInChI=1S/C9H18NO2/c1-8(2)12-7-5-9-4-3-6-10(9)11/h8-9H,3-7H2,1-2H3/q-1
InChIKeyLFLVLPSPDAPCLK-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.76
Rot. Bonds4

About 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine

1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 163694484) has the molecular formula C9H18NO2- and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID163694484
Molecular FormulaC9H18NO2-
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCC1CCCN1[O-]
InChIInChI=1S/C9H18NO2/c1-8(2)12-7-5-9-4-3-6-10(9)11/h8-9H,3-7H2,1-2H3/q-1
InChIKeyLFLVLPSPDAPCLK-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
1-methyl-3-(2-propan-2-yloxyethyl)piperidine
CID 169034936
2-propan-2-yloxyethylcycloheptane
CID 123201160
1-methyl-4-(2-propan-2-yloxyethyl)-1,3-diazinane
CID 176597370
2-(1-hydroxycyclopentyl)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 71984280
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 97018683
2-(methoxymethyl)-4-methyl-6-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]pyrimidine
CID 97055608
2-(2-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 79601215

Frequently Asked Questions

What is the IUPAC name of 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine (CID 163694484) is 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCC1CCCN1[O-].
What is the InChIKey of 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is LFLVLPSPDAPCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2/c1-8(2)12-7-5-9-4-3-6-10(9)11/h8-9H,3-7H2,1-2H3/q-1.
What are the key properties of 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine?
1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 172.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-2-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 163694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).