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

C13H21ClN2O2 — CID 106440656

IUPAC1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C13H21ClN2O2/c1-8(2)10-11(17)15-13(4,5)12(18)16(10)7-9(3)6-14/h6,8,10H,7H2,1-5H3,(H,15,17)
InChIKeyBHFAJAOWQIXQEA-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.89
Rot. Bonds3

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

1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106440656) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106440656
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C13H21ClN2O2/c1-8(2)10-11(17)15-13(4,5)12(18)16(10)7-9(3)6-14/h6,8,10H,7H2,1-5H3,(H,15,17)
InChIKeyBHFAJAOWQIXQEA-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
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)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 106440656) is 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is CC(=CCl)CN1C(=O)C(C)(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BHFAJAOWQIXQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-8(2)10-11(17)15-13(4,5)12(18)16(10)7-9(3)6-14/h6,8,10H,7H2,1-5H3,(H,15,17).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 272.78 g/mol, XLogP of 1.89, 3 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)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106440656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).