(6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone

C11H14N2O — CID 123979942

IUPAC(6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
SMILESO=C=C1C=CC=CC1N1CCNCC1
InChIInChI=1S/C11H14N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h1-4,11-12H,5-8H2
InChIKeyVDNQXOIUHYZJSM-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.14
Rot. Bonds1

About (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone

(6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 123979942) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID123979942
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
SMILESO=C=C1C=CC=CC1N1CCNCC1
InChIInChI=1S/C11H14N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h1-4,11-12H,5-8H2
InChIKeyVDNQXOIUHYZJSM-UHFFFAOYSA-N
XLogP0.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone (CID 123979942) is (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone is O=C=C1C=CC=CC1N1CCNCC1.
What is the InChIKey of (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is VDNQXOIUHYZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h1-4,11-12H,5-8H2.
What are the key properties of (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone?
(6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 190.25 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 123979942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).