(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one

C11H16N2O2 — CID 96740616

IUPAC(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)C1CC=CC1
InChIInChI=1S/C11H16N2O2/c1-8-10(14)12-6-7-13(8)11(15)9-4-2-3-5-9/h2-3,8-9H,4-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyAHQNBIVIBDGYSB-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.30
Rot. Bonds1

About (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one

(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one (PubChem CID 96740616) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
PubChem CID96740616
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1C(=O)C1CC=CC1
InChIInChI=1S/C11H16N2O2/c1-8-10(14)12-6-7-13(8)11(15)9-4-2-3-5-9/h2-3,8-9H,4-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyAHQNBIVIBDGYSB-QMMMGPOBSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one (CID 96740616) is (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one is C[C@H]1C(=O)NCCN1C(=O)C1CC=CC1.
What is the InChIKey of (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is AHQNBIVIBDGYSB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-10(14)12-6-7-13(8)11(15)9-4-2-3-5-9/h2-3,8-9H,4-7H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one?
(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 96740616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).