(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]

C19H24N2O2 — CID 14636114

IUPAC(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]
SMILESCC[C@@H]1[C@@H]2c3cc4ccccc4n3CCN2CCC12OCCO2
InChIInChI=1S/C19H24N2O2/c1-2-15-18-17-13-14-5-3-4-6-16(14)21(17)10-9-20(18)8-7-19(15)22-11-12-23-19/h3-6,13,15,18H,2,7-12H2,1H3/t15-,18-/m1/s1
InChIKeyVZIZRECSIQUFLQ-CRAIPNDOSA-N
MW312.41 g/mol
LogP3.17
Rot. Bonds1

About (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]

(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene] (PubChem CID 14636114) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene].

Molecular Properties

Compound Name(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]
PubChem CID14636114
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]
SMILESCC[C@@H]1[C@@H]2c3cc4ccccc4n3CCN2CCC12OCCO2
InChIInChI=1S/C19H24N2O2/c1-2-15-18-17-13-14-5-3-4-6-16(14)21(17)10-9-20(18)8-7-19(15)22-11-12-23-19/h3-6,13,15,18H,2,7-12H2,1H3/t15-,18-/m1/s1
InChIKeyVZIZRECSIQUFLQ-CRAIPNDOSA-N
XLogP3.17
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]?
The IUPAC name of (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene] (CID 14636114) is (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene].
What is the SMILES notation for (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]?
The canonical SMILES for (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene] is CC[C@@H]1[C@@H]2c3cc4ccccc4n3CCN2CCC12OCCO2.
What is the InChIKey of (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]?
The InChIKey is VZIZRECSIQUFLQ-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-15-18-17-13-14-5-3-4-6-16(14)21(17)10-9-20(18)8-7-19(15)22-11-12-23-19/h3-6,13,15,18H,2,7-12H2,1H3/t15-,18-/m1/s1.
What are the key properties of (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene]?
(2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene] has a molecular weight of 312.41 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3'R)-3'-ethylspiro[1,3-dioxolane-2,4'-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),11,13,15-tetraene] is sourced from PubChem (CID 14636114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).