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

C9H19N3O — CID 160509538

IUPAC1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane
SMILESC.C=CC(=O)N1CCC[C@@H](NN)C1
InChIInChI=1S/C8H15N3O.CH4/c1-2-8(12)11-5-3-4-7(6-11)10-9;/h2,7,10H,1,3-6,9H2;1H4/t7-;/m1./s1
InChIKeyQSWBYLVFZMLYIA-OGFXRTJISA-N
MW185.27 g/mol
LogP0.26
Rot. Bonds2

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

1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane (PubChem CID 160509538) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane.

Molecular Properties

Compound Name1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane
PubChem CID160509538
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane
SMILESC.C=CC(=O)N1CCC[C@@H](NN)C1
InChIInChI=1S/C8H15N3O.CH4/c1-2-8(12)11-5-3-4-7(6-11)10-9;/h2,7,10H,1,3-6,9H2;1H4/t7-;/m1./s1
InChIKeyQSWBYLVFZMLYIA-OGFXRTJISA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.26
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 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane?
The IUPAC name of 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane (CID 160509538) is 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane.
What is the SMILES notation for 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane?
The canonical SMILES for 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane is C.C=CC(=O)N1CCC[C@@H](NN)C1.
What is the InChIKey of 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane?
The InChIKey is QSWBYLVFZMLYIA-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15N3O.CH4/c1-2-8(12)11-5-3-4-7(6-11)10-9;/h2,7,10H,1,3-6,9H2;1H4/t7-;/m1./s1.
What are the key properties of 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane?
1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane has a molecular weight of 185.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one;methane is sourced from PubChem (CID 160509538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).