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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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).