(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one

C8H11ClN2O2 — CID 97166637

IUPAC(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
SMILESO=C1C[C@]2(CCN(C(=O)CCl)C2)N1
InChIInChI=1S/C8H11ClN2O2/c9-4-7(13)11-2-1-8(5-11)3-6(12)10-8/h1-5H2,(H,10,12)/t8-/m0/s1
InChIKeyNVHGBFLTBSBNNI-QMMMGPOBSA-N
MW202.64 g/mol
LogP-0.28
Rot. Bonds1

About (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one

(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one (PubChem CID 97166637) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one.

Molecular Properties

Compound Name(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
PubChem CID97166637
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
SMILESO=C1C[C@]2(CCN(C(=O)CCl)C2)N1
InChIInChI=1S/C8H11ClN2O2/c9-4-7(13)11-2-1-8(5-11)3-6(12)10-8/h1-5H2,(H,10,12)/t8-/m0/s1
InChIKeyNVHGBFLTBSBNNI-QMMMGPOBSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
CID 97175419
2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 71646509
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
CID 97174895
1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
2-amino-1-(1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 71649143
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
2-(2-chloroacetyl)-2-azaspiro[4.5]decane-8-carboxylic acid
CID 71649547
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
CID 97168789

Frequently Asked Questions

What is the IUPAC name of (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one?
The IUPAC name of (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one (CID 97166637) is (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one.
What is the SMILES notation for (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one?
The canonical SMILES for (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one is O=C1C[C@]2(CCN(C(=O)CCl)C2)N1.
What is the InChIKey of (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one?
The InChIKey is NVHGBFLTBSBNNI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-4-7(13)11-2-1-8(5-11)3-6(12)10-8/h1-5H2,(H,10,12)/t8-/m0/s1.
What are the key properties of (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one?
(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one has a molecular weight of 202.64 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one is sourced from PubChem (CID 97166637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).