1-[(E)-but-2-enoyl]piperidin-2-one

C9H13NO2 — CID 101396423

IUPAC1-[(E)-but-2-enoyl]piperidin-2-one
SMILESC/C=C/C(=O)N1CCCCC1=O
InChIInChI=1S/C9H13NO2/c1-2-5-8(11)10-7-4-3-6-9(10)12/h2,5H,3-4,6-7H2,1H3/b5-2+
InChIKeyPWYVNBJOTZGEKS-GORDUTHDSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds1

About 1-[(E)-but-2-enoyl]piperidin-2-one

1-[(E)-but-2-enoyl]piperidin-2-one (PubChem CID 101396423) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(E)-but-2-enoyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(E)-but-2-enoyl]piperidin-2-one
PubChem CID101396423
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-[(E)-but-2-enoyl]piperidin-2-one
SMILESC/C=C/C(=O)N1CCCCC1=O
InChIInChI=1S/C9H13NO2/c1-2-5-8(11)10-7-4-3-6-9(10)12/h2,5H,3-4,6-7H2,1H3/b5-2+
InChIKeyPWYVNBJOTZGEKS-GORDUTHDSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
1-acetylazonan-2-one
CID 19035113
1-acetylazepan-2-one;methane
CID 158348937
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
CID 689050
1-(2-methylpropanoyl)azepan-2-one
CID 86179400
acetic acid;2-(2-oxoazepan-1-yl)ethyl (Z)-but-2-enoate
CID 145315243
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
2-methoxy-5-[(E)-3-oxo-3-(2-oxopiperidin-1-yl)prop-1-enyl]benzoic acid
CID 175257650
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidin-2-one
CID 164563597
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
CID 765144

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoyl]piperidin-2-one?
The IUPAC name of 1-[(E)-but-2-enoyl]piperidin-2-one (CID 101396423) is 1-[(E)-but-2-enoyl]piperidin-2-one.
What is the SMILES notation for 1-[(E)-but-2-enoyl]piperidin-2-one?
The canonical SMILES for 1-[(E)-but-2-enoyl]piperidin-2-one is C/C=C/C(=O)N1CCCCC1=O.
What is the InChIKey of 1-[(E)-but-2-enoyl]piperidin-2-one?
The InChIKey is PWYVNBJOTZGEKS-GORDUTHDSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-8(11)10-7-4-3-6-9(10)12/h2,5H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 1-[(E)-but-2-enoyl]piperidin-2-one?
1-[(E)-but-2-enoyl]piperidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoyl]piperidin-2-one is sourced from PubChem (CID 101396423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).