4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one

C10H19N3O — CID 165027094

IUPAC4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one
SMILESC=C(CN1CCNC(=O)C1)NC(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)12-9(3)6-13-5-4-11-10(14)7-13/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyRIURXTQQHRWFCP-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.07
Rot. Bonds4

About 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one

4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one (PubChem CID 165027094) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one
PubChem CID165027094
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one
SMILESC=C(CN1CCNC(=O)C1)NC(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)12-9(3)6-13-5-4-11-10(14)7-13/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyRIURXTQQHRWFCP-UHFFFAOYSA-N
XLogP-0.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one?
The IUPAC name of 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one (CID 165027094) is 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one?
The canonical SMILES for 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one is C=C(CN1CCNC(=O)C1)NC(C)C.
What is the InChIKey of 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one?
The InChIKey is RIURXTQQHRWFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)12-9(3)6-13-5-4-11-10(14)7-13/h8,12H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one?
4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylamino)prop-2-enyl]piperazin-2-one is sourced from PubChem (CID 165027094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).