2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone

C9H15ClN2O — CID 71646509

IUPAC2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESO=C(CCl)N1CCC2(CCN2)CC1
InChIInChI=1S/C9H15ClN2O/c10-7-8(13)12-5-2-9(3-6-12)1-4-11-9/h11H,1-7H2
InChIKeyDRECBGLHLSGOEN-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.58
Rot. Bonds1

About 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone

2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 71646509) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
PubChem CID71646509
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESO=C(CCl)N1CCC2(CCN2)CC1
InChIInChI=1S/C9H15ClN2O/c10-7-8(13)12-5-2-9(3-6-12)1-4-11-9/h11H,1-7H2
InChIKeyDRECBGLHLSGOEN-UHFFFAOYSA-N
XLogP0.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.58
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

1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 58584510
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
CID 97166637
2-amino-1-(1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 71649143
2-chloro-1-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107453818
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 97174792
2-chloro-1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 121203329
1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide
CID 146085902
2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
CID 166414867
[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl carbamate
CID 175316865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone (CID 71646509) is 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone is O=C(CCl)N1CCC2(CCN2)CC1.
What is the InChIKey of 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is DRECBGLHLSGOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c10-7-8(13)12-5-2-9(3-6-12)1-4-11-9/h11H,1-7H2.
What are the key properties of 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 202.68 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 71646509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).