[4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone

C14H18N2O — CID 173354393

IUPAC[4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESC=CCN1CCNC(C2=CCC(=C=O)C=C2)C1
InChIInChI=1S/C14H18N2O/c1-2-8-16-9-7-15-14(10-16)13-5-3-12(11-17)4-6-13/h2-3,5-6,14-15H,1,4,7-10H2
InChIKeyZTRPTBGGKAAEFZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.09
Rot. Bonds3

About [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone

[4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone (PubChem CID 173354393) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone.

Molecular Properties

Compound Name[4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone
PubChem CID173354393
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESC=CCN1CCNC(C2=CCC(=C=O)C=C2)C1
InChIInChI=1S/C14H18N2O/c1-2-8-16-9-7-15-14(10-16)13-5-3-12(11-17)4-6-13/h2-3,5-6,14-15H,1,4,7-10H2
InChIKeyZTRPTBGGKAAEFZ-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone?
The IUPAC name of [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone (CID 173354393) is [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone.
What is the SMILES notation for [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone?
The canonical SMILES for [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone is C=CCN1CCNC(C2=CCC(=C=O)C=C2)C1.
What is the InChIKey of [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone?
The InChIKey is ZTRPTBGGKAAEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-8-16-9-7-15-14(10-16)13-5-3-12(11-17)4-6-13/h2-3,5-6,14-15H,1,4,7-10H2.
What are the key properties of [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone?
[4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone has a molecular weight of 230.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone is sourced from PubChem (CID 173354393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).