(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one

C7H13N3O — CID 59958609

IUPAC(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one
SMILESC=C(N)N1CCC[C@H](N)C1=O
InChIInChI=1S/C7H13N3O/c1-5(8)10-4-2-3-6(9)7(10)11/h6H,1-4,8-9H2/t6-/m0/s1
InChIKeyFSNWWXBKRDKIMH-LURJTMIESA-N
MW155.20 g/mol
LogP-0.63
Rot. Bonds1

About (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one

(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one (PubChem CID 59958609) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one
PubChem CID59958609
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one
SMILESC=C(N)N1CCC[C@H](N)C1=O
InChIInChI=1S/C7H13N3O/c1-5(8)10-4-2-3-6(9)7(10)11/h6H,1-4,8-9H2/t6-/m0/s1
InChIKeyFSNWWXBKRDKIMH-LURJTMIESA-N
XLogP-0.63
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diaminovalerolactam
CID 67127715
1-Carbamoyl-3-amino-2-piperidone
CID 129850343
N-[(3S)-1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
CID 59958588
(3S)-3-amino-1-(2-aminoethyl)piperidin-2-one
CID 154943138
(2S)-2-amino-5-(1-aminoethenylamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 159041194
3-Amino-1-(1-aminoethenyl)piperidin-2-one
CID 20662044
N-[1-(1-aminoethenyl)-2-oxopiperidin-3-yl]propanamide
CID 20662054
3-(2-oxo-1H-imidazol-3-yl)piperidin-2-one
CID 103125553
N-[5-(1-aminoethenylamino)-1-oxo-1-piperidin-1-ylpentan-2-yl]propanamide
CID 145531305

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one (CID 59958609) is (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one is C=C(N)N1CCC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one?
The InChIKey is FSNWWXBKRDKIMH-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(8)10-4-2-3-6(9)7(10)11/h6H,1-4,8-9H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one?
(3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(1-aminoethenyl)piperidin-2-one is sourced from PubChem (CID 59958609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).