1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one

C10H17NO — CID 45088951

IUPAC1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one
SMILESC=C[C@@H]1CCCCN1C(=O)CC
InChIInChI=1S/C10H17NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyBKIUKRWVJDFANJ-SECBINFHSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds2

About 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one

1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one (PubChem CID 45088951) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one
PubChem CID45088951
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one
SMILESC=C[C@@H]1CCCCN1C(=O)CC
InChIInChI=1S/C10H17NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h3,9H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyBKIUKRWVJDFANJ-SECBINFHSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one (CID 45088951) is 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one is C=C[C@@H]1CCCCN1C(=O)CC.
What is the InChIKey of 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one?
The InChIKey is BKIUKRWVJDFANJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9-7-5-6-8-11(9)10(12)4-2/h3,9H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one?
1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethenylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 45088951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).