(4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]

C16H24N2O2 — CID 154589579

IUPAC(4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]
SMILESCn1cc2c(n1)[C@@]1(C)CCC3(OCCO3)C(C)(C)[C@@H]1C2
InChIInChI=1S/C16H24N2O2/c1-14(2)12-9-11-10-18(4)17-13(11)15(12,3)5-6-16(14)19-7-8-20-16/h10,12H,5-9H2,1-4H3/t12-,15-/m0/s1
InChIKeyRWNRFTVSEHPIBZ-WFASDCNBSA-N
MW276.38 g/mol
LogP2.41
Rot. Bonds

About (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]

(4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole] (PubChem CID 154589579) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole].

Molecular Properties

Compound Name(4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]
PubChem CID154589579
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]
SMILESCn1cc2c(n1)[C@@]1(C)CCC3(OCCO3)C(C)(C)[C@@H]1C2
InChIInChI=1S/C16H24N2O2/c1-14(2)12-9-11-10-18(4)17-13(11)15(12,3)5-6-16(14)19-7-8-20-16/h10,12H,5-9H2,1-4H3/t12-,15-/m0/s1
InChIKeyRWNRFTVSEHPIBZ-WFASDCNBSA-N
XLogP2.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]?
The IUPAC name of (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole] (CID 154589579) is (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole].
What is the SMILES notation for (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]?
The canonical SMILES for (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole] is Cn1cc2c(n1)[C@@]1(C)CCC3(OCCO3)C(C)(C)[C@@H]1C2.
What is the InChIKey of (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]?
The InChIKey is RWNRFTVSEHPIBZ-WFASDCNBSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(2)12-9-11-10-18(4)17-13(11)15(12,3)5-6-16(14)19-7-8-20-16/h10,12H,5-9H2,1-4H3/t12-,15-/m0/s1.
What are the key properties of (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole]?
(4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole] has a molecular weight of 276.38 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aR,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydroindeno[1,2-c]pyrazole] is sourced from PubChem (CID 154589579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).