[1-(furan-2-yl)piperazin-2-ylidene]methanone

C9H10N2O2 — CID 87059380

IUPAC[1-(furan-2-yl)piperazin-2-ylidene]methanone
SMILESO=C=C1CNCCN1c1ccco1
InChIInChI=1S/C9H10N2O2/c12-7-8-6-10-3-4-11(8)9-2-1-5-13-9/h1-2,5,10H,3-4,6H2
InChIKeyBLSKTZIZMKUNKG-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.40
Rot. Bonds1

About [1-(furan-2-yl)piperazin-2-ylidene]methanone

[1-(furan-2-yl)piperazin-2-ylidene]methanone (PubChem CID 87059380) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is [1-(furan-2-yl)piperazin-2-ylidene]methanone.

Molecular Properties

Compound Name[1-(furan-2-yl)piperazin-2-ylidene]methanone
PubChem CID87059380
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name[1-(furan-2-yl)piperazin-2-ylidene]methanone
SMILESO=C=C1CNCCN1c1ccco1
InChIInChI=1S/C9H10N2O2/c12-7-8-6-10-3-4-11(8)9-2-1-5-13-9/h1-2,5,10H,3-4,6H2
InChIKeyBLSKTZIZMKUNKG-UHFFFAOYSA-N
XLogP0.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Furanyl)-5-fluorouracil
CID 324191
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N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
N-(furan-2-yl)propanamide
CID 10486917
2-Methylamino-furan
CID 12151528
N,N-Diathyl-2-furylamin
CID 14389094
Furylpiperidine
CID 53956448
Allylfurylamine
CID 67975741
Furyl-pyrrolidine
CID 68608156
Furyl-acryloyl-glycyl-leucinamide
CID 69565047
Furanyluracil
CID 70364377
2-Furyltetrahydropyridine
CID 129711305

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-yl)piperazin-2-ylidene]methanone?
The IUPAC name of [1-(furan-2-yl)piperazin-2-ylidene]methanone (CID 87059380) is [1-(furan-2-yl)piperazin-2-ylidene]methanone.
What is the SMILES notation for [1-(furan-2-yl)piperazin-2-ylidene]methanone?
The canonical SMILES for [1-(furan-2-yl)piperazin-2-ylidene]methanone is O=C=C1CNCCN1c1ccco1.
What is the InChIKey of [1-(furan-2-yl)piperazin-2-ylidene]methanone?
The InChIKey is BLSKTZIZMKUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-7-8-6-10-3-4-11(8)9-2-1-5-13-9/h1-2,5,10H,3-4,6H2.
What are the key properties of [1-(furan-2-yl)piperazin-2-ylidene]methanone?
[1-(furan-2-yl)piperazin-2-ylidene]methanone has a molecular weight of 178.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-yl)piperazin-2-ylidene]methanone is sourced from PubChem (CID 87059380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).