3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide

C11H20N2O3 — CID 7336205

IUPAC3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
SMILESNNC(=O)CC[C@@H]1CCCCC12OCCO2
InChIInChI=1S/C11H20N2O3/c12-13-10(14)5-4-9-3-1-2-6-11(9)15-7-8-16-11/h9H,1-8,12H2,(H,13,14)/t9-/m0/s1
InChIKeyZFDVKCIZYMNNTJ-VIFPVBQESA-N
MW228.29 g/mol
LogP0.69
Rot. Bonds3

About 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide

3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide (PubChem CID 7336205) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide.

Molecular Properties

Compound Name3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
PubChem CID7336205
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
SMILESNNC(=O)CC[C@@H]1CCCCC12OCCO2
InChIInChI=1S/C11H20N2O3/c12-13-10(14)5-4-9-3-1-2-6-11(9)15-7-8-16-11/h9H,1-8,12H2,(H,13,14)/t9-/m0/s1
InChIKeyZFDVKCIZYMNNTJ-VIFPVBQESA-N
XLogP0.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
ethyl (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-enoate
CID 10423166
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide
CID 23136089
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
3-cyclopentylsulfanylpropanehydrazide
CID 60782274
7-(1,4-dioxaspiro[4.5]decan-6-yl)-2-methylhepta-4,5-dien-3-ol
CID 101483851
1-(1,4-dioxaspiro[4.5]decan-6-ylmethyl)-4-methylpyridin-1-ium bromide
CID 10903555
methyl 3-(1,4-dioxa-8-thiaspiro[4.5]decan-6-yl)propanoate
CID 71369630

Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide?
The IUPAC name of 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide (CID 7336205) is 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide.
What is the SMILES notation for 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide?
The canonical SMILES for 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide is NNC(=O)CC[C@@H]1CCCCC12OCCO2.
What is the InChIKey of 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide?
The InChIKey is ZFDVKCIZYMNNTJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c12-13-10(14)5-4-9-3-1-2-6-11(9)15-7-8-16-11/h9H,1-8,12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide?
3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide has a molecular weight of 228.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide is sourced from PubChem (CID 7336205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).