1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide

C11H18N2O2 — CID 70414957

IUPAC1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
SMILESC=CC(=O)N1CCCCC1.C=CC(N)=O
InChIInChI=1S/C8H13NO.C3H5NO/c1-2-8(10)9-6-4-3-5-7-9;1-2-3(4)5/h2H,1,3-7H2;2H,1H2,(H2,4,5)
InChIKeyFVXGKRPXWHMVOC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.84
Rot. Bonds2

About 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide

1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide (PubChem CID 70414957) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide.

Molecular Properties

Compound Name1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
PubChem CID70414957
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
SMILESC=CC(=O)N1CCCCC1.C=CC(N)=O
InChIInChI=1S/C8H13NO.C3H5NO/c1-2-8(10)9-6-4-3-5-7-9;1-2-3(4)5/h2H,1,3-7H2;2H,1H2,(H2,4,5)
InChIKeyFVXGKRPXWHMVOC-UHFFFAOYSA-N
XLogP0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide?
The IUPAC name of 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide (CID 70414957) is 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide.
What is the SMILES notation for 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide?
The canonical SMILES for 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide is C=CC(=O)N1CCCCC1.C=CC(N)=O.
What is the InChIKey of 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide?
The InChIKey is FVXGKRPXWHMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C3H5NO/c1-2-8(10)9-6-4-3-5-7-9;1-2-3(4)5/h2H,1,3-7H2;2H,1H2,(H2,4,5).
What are the key properties of 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide?
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide is sourced from PubChem (CID 70414957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).