3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine

C13H22ClNO — CID 102900770

IUPAC3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
SMILESClC1CCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C13H22ClNO/c14-11-4-8-15(9-11)10-12-3-7-13(16-12)5-1-2-6-13/h11-12H,1-10H2
InChIKeyJFPIIUKTWJYCKG-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.79
Rot. Bonds2

About 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine

3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine (PubChem CID 102900770) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
PubChem CID102900770
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
SMILESClC1CCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C13H22ClNO/c14-11-4-8-15(9-11)10-12-3-7-13(16-12)5-1-2-6-13/h11-12H,1-10H2
InChIKeyJFPIIUKTWJYCKG-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
3-methylsulfanyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)azepane
CID 86818442
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
(3R)-1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 124862340
4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
CID 102898079
N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 124862277

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine (CID 102900770) is 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine is ClC1CCN(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
The InChIKey is JFPIIUKTWJYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-11-4-8-15(9-11)10-12-3-7-13(16-12)5-1-2-6-13/h11-12H,1-10H2.
What are the key properties of 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine has a molecular weight of 243.78 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 102900770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).