1-[(3S)-pent-1-en-3-yl]pyridin-2-one

C10H13NO — CID 102171979

IUPAC1-[(3S)-pent-1-en-3-yl]pyridin-2-one
SMILESC=C[C@H](CC)n1ccccc1=O
InChIInChI=1S/C10H13NO/c1-3-9(4-2)11-8-6-5-7-10(11)12/h3,5-9H,1,4H2,2H3/t9-/m1/s1
InChIKeyUUBNYEGOIXQYQD-SECBINFHSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds3

About 1-[(3S)-pent-1-en-3-yl]pyridin-2-one

1-[(3S)-pent-1-en-3-yl]pyridin-2-one (PubChem CID 102171979) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[(3S)-pent-1-en-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3S)-pent-1-en-3-yl]pyridin-2-one
PubChem CID102171979
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-[(3S)-pent-1-en-3-yl]pyridin-2-one
SMILESC=C[C@H](CC)n1ccccc1=O
InChIInChI=1S/C10H13NO/c1-3-9(4-2)11-8-6-5-7-10(11)12/h3,5-9H,1,4H2,2H3/t9-/m1/s1
InChIKeyUUBNYEGOIXQYQD-SECBINFHSA-N
XLogP1.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3S)-pent-1-en-3-yl]pyridin-2-one?
The IUPAC name of 1-[(3S)-pent-1-en-3-yl]pyridin-2-one (CID 102171979) is 1-[(3S)-pent-1-en-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3S)-pent-1-en-3-yl]pyridin-2-one?
The canonical SMILES for 1-[(3S)-pent-1-en-3-yl]pyridin-2-one is C=C[C@H](CC)n1ccccc1=O.
What is the InChIKey of 1-[(3S)-pent-1-en-3-yl]pyridin-2-one?
The InChIKey is UUBNYEGOIXQYQD-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9(4-2)11-8-6-5-7-10(11)12/h3,5-9H,1,4H2,2H3/t9-/m1/s1.
What are the key properties of 1-[(3S)-pent-1-en-3-yl]pyridin-2-one?
1-[(3S)-pent-1-en-3-yl]pyridin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-pent-1-en-3-yl]pyridin-2-one is sourced from PubChem (CID 102171979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).