6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene

C14H16N2 — CID 101471572

IUPAC6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene
SMILESC=CCN1N=C(c2ccccc2)CC12CC2
InChIInChI=1S/C14H16N2/c1-2-10-16-14(8-9-14)11-13(15-16)12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChIKeyXCXSLHDNVWYWIK-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.82
Rot. Bonds3

About 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene

6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene (PubChem CID 101471572) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene.

Molecular Properties

Compound Name6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene
PubChem CID101471572
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene
SMILESC=CCN1N=C(c2ccccc2)CC12CC2
InChIInChI=1S/C14H16N2/c1-2-10-16-14(8-9-14)11-13(15-16)12-6-4-3-5-7-12/h2-7H,1,8-11H2
InChIKeyXCXSLHDNVWYWIK-UHFFFAOYSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene?
The IUPAC name of 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene (CID 101471572) is 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene.
What is the SMILES notation for 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene?
The canonical SMILES for 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene is C=CCN1N=C(c2ccccc2)CC12CC2.
What is the InChIKey of 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene?
The InChIKey is XCXSLHDNVWYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-10-16-14(8-9-14)11-13(15-16)12-6-4-3-5-7-12/h2-7H,1,8-11H2.
What are the key properties of 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene?
6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene has a molecular weight of 212.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene is sourced from PubChem (CID 101471572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).