(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C11H18ClNO2 — CID 129494213

IUPAC(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CC[C@]2(CCCCO2)C1
InChIInChI=1S/C11H18ClNO2/c1-9(12)10(14)13-6-5-11(8-13)4-2-3-7-15-11/h9H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyBMBGQYRCIROLFF-MWLCHTKSSA-N
MW231.72 g/mol
LogP1.79
Rot. Bonds1

About (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 129494213) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID129494213
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CC[C@]2(CCCCO2)C1
InChIInChI=1S/C11H18ClNO2/c1-9(12)10(14)13-6-5-11(8-13)4-2-3-7-15-11/h9H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyBMBGQYRCIROLFF-MWLCHTKSSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.79
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

(2R)-2-amino-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129499000
(2S)-2-chloro-1-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129498595
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
2-(methylamino)-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129496332
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
2-amino-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 129499564
2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 121202316
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
(E)-4-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]-4-oxobut-2-enoic acid
CID 129496364
(E)-4-(6-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobut-2-enoic acid
CID 121202328
(5R)-N-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97374304
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 129494213) is (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is C[C@@H](Cl)C(=O)N1CC[C@]2(CCCCO2)C1.
What is the InChIKey of (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is BMBGQYRCIROLFF-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-9(12)10(14)13-6-5-11(8-13)4-2-3-7-15-11/h9H,2-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
(2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 231.72 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 129494213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).