tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone

C11H21N3O3 — CID 176531123

IUPACtert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone
SMILESCC(C)(C)OC=O.NNC1CCNC(=C=O)C1
InChIInChI=1S/C6H11N3O.C5H10O2/c7-9-5-1-2-8-6(3-5)4-10;1-5(2,3)7-4-6/h5,8-9H,1-3,7H2;4H,1-3H3
InChIKeyVSXYVJUFDKJKHQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.12
Rot. Bonds2

About tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone

tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone (PubChem CID 176531123) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone.

Molecular Properties

Compound Nametert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone
PubChem CID176531123
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone
SMILESCC(C)(C)OC=O.NNC1CCNC(=C=O)C1
InChIInChI=1S/C6H11N3O.C5H10O2/c7-9-5-1-2-8-6(3-5)4-10;1-5(2,3)7-4-6/h5,8-9H,1-3,7H2;4H,1-3H3
InChIKeyVSXYVJUFDKJKHQ-UHFFFAOYSA-N
XLogP-0.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'ketene', '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 tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone?
The IUPAC name of tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone (CID 176531123) is tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone.
What is the SMILES notation for tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone?
The canonical SMILES for tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone is CC(C)(C)OC=O.NNC1CCNC(=C=O)C1.
What is the InChIKey of tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone?
The InChIKey is VSXYVJUFDKJKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.C5H10O2/c7-9-5-1-2-8-6(3-5)4-10;1-5(2,3)7-4-6/h5,8-9H,1-3,7H2;4H,1-3H3.
What are the key properties of tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone?
tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone has a molecular weight of 243.31 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(4-hydrazinylpiperidin-2-ylidene)methanone is sourced from PubChem (CID 176531123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).