(4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one

C16H21NO — CID 54760460

IUPAC(4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one
SMILESCN1c2ccccc2[C@]2(C)[C@H]1CC(=O)CC2(C)C
InChIInChI=1S/C16H21NO/c1-15(2)10-11(18)9-14-16(15,3)12-7-5-6-8-13(12)17(14)4/h5-8,14H,9-10H2,1-4H3/t14-,16-/m1/s1
InChIKeyYOKIIYBFRQMVDZ-GDBMZVCRSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds

About (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one

(4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one (PubChem CID 54760460) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one.

Molecular Properties

Compound Name(4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one
PubChem CID54760460
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one
SMILESCN1c2ccccc2[C@]2(C)[C@H]1CC(=O)CC2(C)C
InChIInChI=1S/C16H21NO/c1-15(2)10-11(18)9-14-16(15,3)12-7-5-6-8-13(12)17(14)4/h5-8,14H,9-10H2,1-4H3/t14-,16-/m1/s1
InChIKeyYOKIIYBFRQMVDZ-GDBMZVCRSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one?
The IUPAC name of (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one (CID 54760460) is (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one.
What is the SMILES notation for (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one?
The canonical SMILES for (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one is CN1c2ccccc2[C@]2(C)[C@H]1CC(=O)CC2(C)C.
What is the InChIKey of (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one?
The InChIKey is YOKIIYBFRQMVDZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H21NO/c1-15(2)10-11(18)9-14-16(15,3)12-7-5-6-8-13(12)17(14)4/h5-8,14H,9-10H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one?
(4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-4,4,4a,9-tetramethyl-3,9a-dihydro-1H-carbazol-2-one is sourced from PubChem (CID 54760460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).