8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone

C15H21ClN4O — CID 63162277

IUPAC8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C15H21ClN4O/c16-11-3-4-12(19-17)18-13(11)14(21)20-9-7-15(8-10-20)5-1-2-6-15/h3-4H,1-2,5-10,17H2,(H,18,19)
InChIKeyXCHISCYUXBQIDA-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.82
Rot. Bonds2

About 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone

8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone (PubChem CID 63162277) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
PubChem CID63162277
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C15H21ClN4O/c16-11-3-4-12(19-17)18-13(11)14(21)20-9-7-15(8-10-20)5-1-2-6-15/h3-4H,1-2,5-10,17H2,(H,18,19)
InChIKeyXCHISCYUXBQIDA-UHFFFAOYSA-N
XLogP2.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone (CID 63162277) is 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone is NNc1ccc(Cl)c(C(=O)N2CCC3(CCCC3)CC2)n1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is XCHISCYUXBQIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-11-3-4-12(19-17)18-13(11)14(21)20-9-7-15(8-10-20)5-1-2-6-15/h3-4H,1-2,5-10,17H2,(H,18,19).
What are the key properties of 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone?
8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 308.81 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 63162277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).