(3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one

C16H22N2O — CID 927950

IUPAC(3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one
SMILESCCN1C(=O)CN2c3ccc(C)cc3C(C)(C)[C@]12C
InChIInChI=1S/C16H22N2O/c1-6-17-14(19)10-18-13-8-7-11(2)9-12(13)15(3,4)16(17,18)5/h7-9H,6,10H2,1-5H3/t16-/m1/s1
InChIKeyZDCUFPUCEPOBCO-MRXNPFEDSA-N
MW258.36 g/mol
LogP2.67
Rot. Bonds1

About (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one

(3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one (PubChem CID 927950) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name(3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one
PubChem CID927950
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one
SMILESCCN1C(=O)CN2c3ccc(C)cc3C(C)(C)[C@]12C
InChIInChI=1S/C16H22N2O/c1-6-17-14(19)10-18-13-8-7-11(2)9-12(13)15(3,4)16(17,18)5/h7-9H,6,10H2,1-5H3/t16-/m1/s1
InChIKeyZDCUFPUCEPOBCO-MRXNPFEDSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one?
The IUPAC name of (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one (CID 927950) is (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one.
What is the SMILES notation for (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one?
The canonical SMILES for (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one is CCN1C(=O)CN2c3ccc(C)cc3C(C)(C)[C@]12C.
What is the InChIKey of (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one?
The InChIKey is ZDCUFPUCEPOBCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O/c1-6-17-14(19)10-18-13-8-7-11(2)9-12(13)15(3,4)16(17,18)5/h7-9H,6,10H2,1-5H3/t16-/m1/s1.
What are the key properties of (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one?
(3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3-ethyl-3a,4,4,6-tetramethyl-1H-imidazo[1,2-a]indol-2-one is sourced from PubChem (CID 927950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).