(4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one

C16H18N2O2 — CID 7379116

IUPAC(4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
SMILESNc1noc2c1[C@H]([C@H]1CC=CCC1)C1=C2CCCC1=O
InChIInChI=1S/C16H18N2O2/c17-16-14-12(9-5-2-1-3-6-9)13-10(15(14)20-18-16)7-4-8-11(13)19/h1-2,9,12H,3-8H2,(H2,17,18)/t9-,12+/m0/s1
InChIKeyTUAKHGIXAHVRNO-JOYOIKCWSA-N
MW270.33 g/mol
LogP3.22
Rot. Bonds1

About (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one

(4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one (PubChem CID 7379116) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one.

Molecular Properties

Compound Name(4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
PubChem CID7379116
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
SMILESNc1noc2c1[C@H]([C@H]1CC=CCC1)C1=C2CCCC1=O
InChIInChI=1S/C16H18N2O2/c17-16-14-12(9-5-2-1-3-6-9)13-10(15(14)20-18-16)7-4-8-11(13)19/h1-2,9,12H,3-8H2,(H2,17,18)/t9-,12+/m0/s1
InChIKeyTUAKHGIXAHVRNO-JOYOIKCWSA-N
XLogP3.22
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The IUPAC name of (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one (CID 7379116) is (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one.
What is the SMILES notation for (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The canonical SMILES for (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one is Nc1noc2c1[C@H]([C@H]1CC=CCC1)C1=C2CCCC1=O.
What is the InChIKey of (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The InChIKey is TUAKHGIXAHVRNO-JOYOIKCWSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16-14-12(9-5-2-1-3-6-9)13-10(15(14)20-18-16)7-4-8-11(13)19/h1-2,9,12H,3-8H2,(H2,17,18)/t9-,12+/m0/s1.
What are the key properties of (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
(4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one has a molecular weight of 270.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-amino-4-[(1R)-cyclohex-3-en-1-yl]-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one is sourced from PubChem (CID 7379116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).