ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one

C10H21N3O — CID 144847050

IUPACethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](NN)C1.CC
InChIInChI=1S/C8H15N3O.C2H6/c1-2-8(12)11-5-3-4-7(6-11)10-9;1-2/h2,7,10H,1,3-6,9H2;1-2H3/t7-;/m1./s1
InChIKeyXDWQRJSVZSLINH-OGFXRTJISA-N
MW199.30 g/mol
LogP0.65
Rot. Bonds2

About ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one

ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one (PubChem CID 144847050) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Nameethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one
PubChem CID144847050
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Nameethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](NN)C1.CC
InChIInChI=1S/C8H15N3O.C2H6/c1-2-8(12)11-5-3-4-7(6-11)10-9;1-2/h2,7,10H,1,3-6,9H2;1-2H3/t7-;/m1./s1
InChIKeyXDWQRJSVZSLINH-OGFXRTJISA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
N-(1-Acryloylpiperidin-3-yl)acetamide
CID 60949044
N-(1-ethylpiperidin-3-yl)prop-2-enamide
CID 61170396
N-(1-methylpiperidin-3-yl)prop-2-enamide
CID 61211819
1-(3-Aminopiperidin-1-yl)prop-2-en-1-one
CID 61297569
N-[(1-methylpiperidin-2-yl)methyl]prop-2-enamide
CID 61808674
1-[3-(Methylamino)piperidin-1-yl]prop-2-en-1-one
CID 62536548
N-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide
CID 90443192
(S)-1-(3-Aminopiperidin-1-yl)prop-2-en-1-one
CID 93674638
(R)-1-(3-Aminopiperidin-1-yl)prop-2-en-1-one
CID 93674639
1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 94475894
1-[(3S)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 94475895

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one (CID 144847050) is ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](NN)C1.CC.
What is the InChIKey of ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one?
The InChIKey is XDWQRJSVZSLINH-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-2-8(12)11-5-3-4-7(6-11)10-9;1-2/h2,7,10H,1,3-6,9H2;1-2H3/t7-;/m1./s1.
What are the key properties of ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one?
ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one has a molecular weight of 199.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 144847050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).