(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

C13H18ClNO2 — CID 135030995

IUPAC(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1C[C@H](CCl)[C@]2(CCCCC2=O)C1=O
InChIInChI=1S/C13H18ClNO2/c1-2-7-15-9-10(8-14)13(12(15)17)6-4-3-5-11(13)16/h2,10H,1,3-9H2/t10-,13-/m0/s1
InChIKeyLCKSPEPMGCPSLF-GWCFXTLKSA-N
MW255.74 g/mol
LogP2.00
Rot. Bonds3

About (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (PubChem CID 135030995) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.

Molecular Properties

Compound Name(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
PubChem CID135030995
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1C[C@H](CCl)[C@]2(CCCCC2=O)C1=O
InChIInChI=1S/C13H18ClNO2/c1-2-7-15-9-10(8-14)13(12(15)17)6-4-3-5-11(13)16/h2,10H,1,3-9H2/t10-,13-/m0/s1
InChIKeyLCKSPEPMGCPSLF-GWCFXTLKSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3-acetyl-4-(chloromethyl)-3-methyl-1-prop-2-enylpyrrolidin-2-one
CID 102359685
(3S,4R)-3-acetyl-4-(chloromethyl)-3-ethyl-1-prop-2-enylpyrrolidin-2-one
CID 135030686
(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.4]nonane-1,9-dione
CID 135031183
(3aS,6aR)-3a-acetyl-5-(chloromethyl)-2-prop-2-enyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-one
CID 135045174
(4S,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 10987824
(4R,5R)-4-methyl-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
CID 14413604

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The IUPAC name of (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (CID 135030995) is (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.
What is the SMILES notation for (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The canonical SMILES for (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is C=CCN1C[C@H](CCl)[C@]2(CCCCC2=O)C1=O.
What is the InChIKey of (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The InChIKey is LCKSPEPMGCPSLF-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-7-15-9-10(8-14)13(12(15)17)6-4-3-5-11(13)16/h2,10H,1,3-9H2/t10-,13-/m0/s1.
What are the key properties of (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
(4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione has a molecular weight of 255.74 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(chloromethyl)-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is sourced from PubChem (CID 135030995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).