molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one

C8H15NO — CID 144543006

IUPACmolecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one
SMILESC=C(C)[C@H]1CCC(=O)NC1.[H][H]
InChIInChI=1S/C8H13NO.H2/c1-6(2)7-3-4-8(10)9-5-7;/h7H,1,3-5H2,2H3,(H,9,10);1H/t7-;/m0./s1
InChIKeyVTRFNQIDOPKBFP-FJXQXJEOSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds1

About molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one

molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one (PubChem CID 144543006) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one.

Molecular Properties

Compound Namemolecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one
PubChem CID144543006
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Namemolecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one
SMILESC=C(C)[C@H]1CCC(=O)NC1.[H][H]
InChIInChI=1S/C8H13NO.H2/c1-6(2)7-3-4-8(10)9-5-7;/h7H,1,3-5H2,2H3,(H,9,10);1H/t7-;/m0./s1
InChIKeyVTRFNQIDOPKBFP-FJXQXJEOSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-prop-1-en-2-ylpiperidin-2-one
CID 89476530
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728719
5-methylpiperidin-2-one
CID 10877083
(5S)-5-hydroxypiperidin-2-one
CID 10964456
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
(5S)-5-aminopiperidin-2-one;hydrochloride
CID 42614518
5-aminopiperidin-2-one;hydrochloride
CID 47002940

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one?
The IUPAC name of molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one (CID 144543006) is molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one.
What is the SMILES notation for molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one?
The canonical SMILES for molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one is C=C(C)[C@H]1CCC(=O)NC1.[H][H].
What is the InChIKey of molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one?
The InChIKey is VTRFNQIDOPKBFP-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H13NO.H2/c1-6(2)7-3-4-8(10)9-5-7;/h7H,1,3-5H2,2H3,(H,9,10);1H/t7-;/m0./s1.
What are the key properties of molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one?
molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one is sourced from PubChem (CID 144543006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).