(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one

C12H15N3O — CID 5457278

IUPAC(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
SMILESCc1ccc(N/N=C2/CCCNC2=O)cc1
InChIInChI=1S/C12H15N3O/c1-9-4-6-10(7-5-9)14-15-11-3-2-8-13-12(11)16/h4-7,14H,2-3,8H2,1H3,(H,13,16)/b15-11-
InChIKeyBWCYYCWSCABXGH-PTNGSMBKSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds2

About (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one

(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one (PubChem CID 5457278) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
PubChem CID5457278
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
SMILESCc1ccc(N/N=C2/CCCNC2=O)cc1
InChIInChI=1S/C12H15N3O/c1-9-4-6-10(7-5-9)14-15-11-3-2-8-13-12(11)16/h4-7,14H,2-3,8H2,1H3,(H,13,16)/b15-11-
InChIKeyBWCYYCWSCABXGH-PTNGSMBKSA-N
XLogP1.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
The IUPAC name of (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one (CID 5457278) is (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one.
What is the SMILES notation for (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
The canonical SMILES for (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one is Cc1ccc(N/N=C2/CCCNC2=O)cc1.
What is the InChIKey of (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
The InChIKey is BWCYYCWSCABXGH-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-6-10(7-5-9)14-15-11-3-2-8-13-12(11)16/h4-7,14H,2-3,8H2,1H3,(H,13,16)/b15-11-.
What are the key properties of (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one is sourced from PubChem (CID 5457278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).