(2-hydroxypiperidin-3-ylidene)methanone

C6H9NO2 — CID 141218822

IUPAC(2-hydroxypiperidin-3-ylidene)methanone
SMILESO=C=C1CCCNC1O
InChIInChI=1S/C6H9NO2/c8-4-5-2-1-3-7-6(5)9/h6-7,9H,1-3H2
InChIKeyRUVKGONZABKMDL-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.55
Rot. Bonds

About (2-hydroxypiperidin-3-ylidene)methanone

(2-hydroxypiperidin-3-ylidene)methanone (PubChem CID 141218822) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2-hydroxypiperidin-3-ylidene)methanone.

Molecular Properties

Compound Name(2-hydroxypiperidin-3-ylidene)methanone
PubChem CID141218822
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2-hydroxypiperidin-3-ylidene)methanone
SMILESO=C=C1CCCNC1O
InChIInChI=1S/C6H9NO2/c8-4-5-2-1-3-7-6(5)9/h6-7,9H,1-3H2
InChIKeyRUVKGONZABKMDL-UHFFFAOYSA-N
XLogP-0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxypiperidin-3-ylidene)methanone?
The IUPAC name of (2-hydroxypiperidin-3-ylidene)methanone (CID 141218822) is (2-hydroxypiperidin-3-ylidene)methanone.
What is the SMILES notation for (2-hydroxypiperidin-3-ylidene)methanone?
The canonical SMILES for (2-hydroxypiperidin-3-ylidene)methanone is O=C=C1CCCNC1O.
What is the InChIKey of (2-hydroxypiperidin-3-ylidene)methanone?
The InChIKey is RUVKGONZABKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-4-5-2-1-3-7-6(5)9/h6-7,9H,1-3H2.
What are the key properties of (2-hydroxypiperidin-3-ylidene)methanone?
(2-hydroxypiperidin-3-ylidene)methanone has a molecular weight of 127.14 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxypiperidin-3-ylidene)methanone is sourced from PubChem (CID 141218822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).