(5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene

C19H22N2 — CID 135068218

IUPAC(5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene
SMILESC=CCN1CC[C@@]2(C=CC(c3ccccc3)=N2)[C@@H](C=C)C1
InChIInChI=1S/C19H22N2/c1-3-13-21-14-12-19(17(4-2)15-21)11-10-18(20-19)16-8-6-5-7-9-16/h3-11,17H,1-2,12-15H2/t17-,19-/m0/s1
InChIKeyMIMOWRHZSUMSJY-HKUYNNGSSA-N
MW278.40 g/mol
LogP3.48
Rot. Bonds4

About (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene

(5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene (PubChem CID 135068218) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name(5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene
PubChem CID135068218
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene
SMILESC=CCN1CC[C@@]2(C=CC(c3ccccc3)=N2)[C@@H](C=C)C1
InChIInChI=1S/C19H22N2/c1-3-13-21-14-12-19(17(4-2)15-21)11-10-18(20-19)16-8-6-5-7-9-16/h3-11,17H,1-2,12-15H2/t17-,19-/m0/s1
InChIKeyMIMOWRHZSUMSJY-HKUYNNGSSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene?
The IUPAC name of (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene (CID 135068218) is (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene?
The canonical SMILES for (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene is C=CCN1CC[C@@]2(C=CC(c3ccccc3)=N2)[C@@H](C=C)C1.
What is the InChIKey of (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene?
The InChIKey is MIMOWRHZSUMSJY-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-13-21-14-12-19(17(4-2)15-21)11-10-18(20-19)16-8-6-5-7-9-16/h3-11,17H,1-2,12-15H2/t17-,19-/m0/s1.
What are the key properties of (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene?
(5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene has a molecular weight of 278.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-ethenyl-2-phenyl-8-prop-2-enyl-1,8-diazaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 135068218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).