3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one

C8H13N3O — CID 138496405

IUPAC3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one
SMILESC=C(N)NC1CCC(=C)NC1=O
InChIInChI=1S/C8H13N3O/c1-5-3-4-7(8(12)10-5)11-6(2)9/h7,11H,1-4,9H2,(H,10,12)
InChIKeyXMGMQYVSFCJQEP-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.20
Rot. Bonds2

About 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one

3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one (PubChem CID 138496405) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one
PubChem CID138496405
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one
SMILESC=C(N)NC1CCC(=C)NC1=O
InChIInChI=1S/C8H13N3O/c1-5-3-4-7(8(12)10-5)11-6(2)9/h7,11H,1-4,9H2,(H,10,12)
InChIKeyXMGMQYVSFCJQEP-UHFFFAOYSA-N
XLogP-0.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one (CID 138496405) is 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one is C=C(N)NC1CCC(=C)NC1=O.
What is the InChIKey of 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one?
The InChIKey is XMGMQYVSFCJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-3-4-7(8(12)10-5)11-6(2)9/h7,11H,1-4,9H2,(H,10,12).
What are the key properties of 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one?
3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenylamino)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 138496405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).