1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione

C14H21ClN2O2 — CID 106440647

IUPAC1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C(C)C)NC(=O)C1C1CC1
InChIInChI=1S/C14H21ClN2O2/c1-8(2)11-14(19)17(7-9(3)6-15)12(10-4-5-10)13(18)16-11/h6,8,10-12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyGEICRAOUFXNJJB-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.89
Rot. Bonds4

About 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione

1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 106440647) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID106440647
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C(C)C)NC(=O)C1C1CC1
InChIInChI=1S/C14H21ClN2O2/c1-8(2)11-14(19)17(7-9(3)6-15)12(10-4-5-10)13(18)16-11/h6,8,10-12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyGEICRAOUFXNJJB-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione (CID 106440647) is 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione is CC(=CCl)CN1C(=O)C(C(C)C)NC(=O)C1C1CC1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GEICRAOUFXNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-8(2)11-14(19)17(7-9(3)6-15)12(10-4-5-10)13(18)16-11/h6,8,10-12H,4-5,7H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione?
1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 284.79 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106440647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).