ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide

C12H27N5O3 — CID 142545386

IUPACethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide
SMILESCC.NNC(=O)C1CCOC1.NNC(=O)N1CCCC1
InChIInChI=1S/C5H11N3O.C5H10N2O2.C2H6/c6-7-5(9)8-3-1-2-4-8;6-7-5(8)4-1-2-9-3-4;1-2/h1-4,6H2,(H,7,9);4H,1-3,6H2,(H,7,8);1-2H3
InChIKeyKOFCIVHVXMKEIE-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.30
Rot. Bonds1

About ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide

ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide (PubChem CID 142545386) has the molecular formula C12H27N5O3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Nameethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide
PubChem CID142545386
Molecular FormulaC12H27N5O3
Molecular Weight289.38 g/mol
Exact Mass289.21
IUPAC Nameethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide
SMILESCC.NNC(=O)C1CCOC1.NNC(=O)N1CCCC1
InChIInChI=1S/C5H11N3O.C5H10N2O2.C2H6/c6-7-5(9)8-3-1-2-4-8;6-7-5(8)4-1-2-9-3-4;1-2/h1-4,6H2,(H,7,9);4H,1-3,6H2,(H,7,8);1-2H3
InChIKeyKOFCIVHVXMKEIE-UHFFFAOYSA-N
XLogP-0.30
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

oxepane-3-carbohydrazide
CID 84650776
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63571429
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
1-[2-(oxan-4-yloxy)acetyl]piperidine-4-carbohydrazide
CID 63568957
1-(2-morpholin-4-ylacetyl)piperidine-4-carbohydrazide
CID 63570302
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3S)-oxolane-3-carboxamide
CID 67048684
3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
CID 66256802
N-(cyclopropanecarbonyl)azepane-1-carboxamide
CID 110866290
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889

Frequently Asked Questions

What is the IUPAC name of ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide?
The IUPAC name of ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide (CID 142545386) is ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide.
What is the SMILES notation for ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide?
The canonical SMILES for ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide is CC.NNC(=O)C1CCOC1.NNC(=O)N1CCCC1.
What is the InChIKey of ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide?
The InChIKey is KOFCIVHVXMKEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C5H10N2O2.C2H6/c6-7-5(9)8-3-1-2-4-8;6-7-5(8)4-1-2-9-3-4;1-2/h1-4,6H2,(H,7,9);4H,1-3,6H2,(H,7,8);1-2H3.
What are the key properties of ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide?
ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide has a molecular weight of 289.38 g/mol, XLogP of -0.30, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide is sourced from PubChem (CID 142545386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).