1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate

C16H37N3O7 — CID 157218745

IUPAC1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate
SMILESCCO.COC(=O)CC1CCOC1.NCC(=O)CC1CCOC1.NN.O
InChIInChI=1S/C7H13NO2.C7H12O3.C2H6O.H4N2.H2O/c8-4-7(9)3-6-1-2-10-5-6;1-9-7(8)4-6-2-3-10-5-6;1-2-3;1-2;/h6H,1-5,8H2;6H,2-5H2,1H3;3H,2H2,1H3;1-2H2;1H2
InChIKeyBYTQTZQTFZNOBD-UHFFFAOYSA-N
MW383.49 g/mol
LogP-1.48
Rot. Bonds5

About 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate

1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate (PubChem CID 157218745) has the molecular formula C16H37N3O7 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate.

Molecular Properties

Compound Name1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate
PubChem CID157218745
Molecular FormulaC16H37N3O7
Molecular Weight383.49 g/mol
Exact Mass383.26
IUPAC Name1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate
SMILESCCO.COC(=O)CC1CCOC1.NCC(=O)CC1CCOC1.NN.O
InChIInChI=1S/C7H13NO2.C7H12O3.C2H6O.H4N2.H2O/c8-4-7(9)3-6-1-2-10-5-6;1-9-7(8)4-6-2-3-10-5-6;1-2-3;1-2;/h6H,1-5,8H2;6H,2-5H2,1H3;3H,2H2,1H3;1-2H2;1H2
InChIKeyBYTQTZQTFZNOBD-UHFFFAOYSA-N
XLogP-1.48
TPSA191.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate?
The IUPAC name of 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate (CID 157218745) is 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate.
What is the SMILES notation for 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate?
The canonical SMILES for 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate is CCO.COC(=O)CC1CCOC1.NCC(=O)CC1CCOC1.NN.O.
What is the InChIKey of 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate?
The InChIKey is BYTQTZQTFZNOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C7H12O3.C2H6O.H4N2.H2O/c8-4-7(9)3-6-1-2-10-5-6;1-9-7(8)4-6-2-3-10-5-6;1-2-3;1-2;/h6H,1-5,8H2;6H,2-5H2,1H3;3H,2H2,1H3;1-2H2;1H2.
What are the key properties of 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate?
1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate has a molecular weight of 383.49 g/mol, XLogP of -1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(oxolan-3-yl)propan-2-one;ethanol;hydrazine;methyl 2-(oxolan-3-yl)acetate;hydrate is sourced from PubChem (CID 157218745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).