(2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one

C9H16N2O — CID 157370699

IUPAC(2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one
SMILESC=CC[C@]1(CN)NCCCC1=O
InChIInChI=1S/C9H16N2O/c1-2-5-9(7-10)8(12)4-3-6-11-9/h2,11H,1,3-7,10H2/t9-/m1/s1
InChIKeyBJSNRONQNHTMGY-SECBINFHSA-N
MW168.24 g/mol
LogP0.21
Rot. Bonds3

About (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one

(2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one (PubChem CID 157370699) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one
PubChem CID157370699
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one
SMILESC=CC[C@]1(CN)NCCCC1=O
InChIInChI=1S/C9H16N2O/c1-2-5-9(7-10)8(12)4-3-6-11-9/h2,11H,1,3-7,10H2/t9-/m1/s1
InChIKeyBJSNRONQNHTMGY-SECBINFHSA-N
XLogP0.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one?
The IUPAC name of (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one (CID 157370699) is (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one.
What is the SMILES notation for (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one?
The canonical SMILES for (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one is C=CC[C@]1(CN)NCCCC1=O.
What is the InChIKey of (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one?
The InChIKey is BJSNRONQNHTMGY-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-9(7-10)8(12)4-3-6-11-9/h2,11H,1,3-7,10H2/t9-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one?
(2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one has a molecular weight of 168.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-2-prop-2-enylpiperidin-3-one is sourced from PubChem (CID 157370699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).