1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol

C18H44N8O10 — CID 172960830

IUPAC1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol
SMILESC/C(=N/N)C(O)O.C/C(=N/N)C(O)O.CC(=O)C(O)O.CC(C)=N/N=C(\C)C(O)O.CC(C)=O.NN
InChIInChI=1S/C6H12N2O2.2C3H8N2O2.C3H6O3.C3H6O.H4N2/c1-4(2)7-8-5(3)6(9)10;2*1-2(5-4)3(6)7;1-2(4)3(5)6;1-3(2)4;1-2/h6,9-10H,1-3H3;2*3,6-7H,4H2,1H3;3,5-6H,1H3;1-2H3;1-2H2/b8-5+;2*5-2-;;;
InChIKeyTWTPOPXHDKKPIQ-LIUNTIABSA-N
MW532.60 g/mol
LogP-4.28
Rot. Bonds5

About 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol

1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol (PubChem CID 172960830) has the molecular formula C18H44N8O10 and a molecular weight of 532.60 g/mol. Its IUPAC name is 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol.

Molecular Properties

Compound Name1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol
PubChem CID172960830
Molecular FormulaC18H44N8O10
Molecular Weight532.60 g/mol
Exact Mass532.32
IUPAC Name1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol
SMILESC/C(=N/N)C(O)O.C/C(=N/N)C(O)O.CC(=O)C(O)O.CC(C)=N/N=C(\C)C(O)O.CC(C)=O.NN
InChIInChI=1S/C6H12N2O2.2C3H8N2O2.C3H6O3.C3H6O.H4N2/c1-4(2)7-8-5(3)6(9)10;2*1-2(5-4)3(6)7;1-2(4)3(5)6;1-3(2)4;1-2/h6,9-10H,1-3H3;2*3,6-7H,4H2,1H3;3,5-6H,1H3;1-2H3;1-2H2/b8-5+;2*5-2-;;;
InChIKeyTWTPOPXHDKKPIQ-LIUNTIABSA-N
XLogP-4.28
TPSA349.50 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 5-4.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 85440843

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol?
The IUPAC name of 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol (CID 172960830) is 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol.
What is the SMILES notation for 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol?
The canonical SMILES for 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol is C/C(=N/N)C(O)O.C/C(=N/N)C(O)O.CC(=O)C(O)O.CC(C)=N/N=C(\C)C(O)O.CC(C)=O.NN.
What is the InChIKey of 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol?
The InChIKey is TWTPOPXHDKKPIQ-LIUNTIABSA-N. The full InChI is InChI=1S/C6H12N2O2.2C3H8N2O2.C3H6O3.C3H6O.H4N2/c1-4(2)7-8-5(3)6(9)10;2*1-2(5-4)3(6)7;1-2(4)3(5)6;1-3(2)4;1-2/h6,9-10H,1-3H3;2*3,6-7H,4H2,1H3;3,5-6H,1H3;1-2H3;1-2H2/b8-5+;2*5-2-;;;.
What are the key properties of 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol?
1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol has a molecular weight of 532.60 g/mol, XLogP of -4.28, 5 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxypropan-2-one;hydrazine;bis((2Z)-2-hydrazinylidenepropane-1,1-diol);propan-2-one;(2E)-2-(propan-2-ylidenehydrazinylidene)propane-1,1-diol is sourced from PubChem (CID 172960830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).