(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one

C9H15NO — CID 58878664

IUPAC(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one
SMILESCC1(C)[C@@H]2C(=O)C[C@](C)(N)[C@@H]21
InChIInChI=1S/C9H15NO/c1-8(2)6-5(11)4-9(3,10)7(6)8/h6-7H,4,10H2,1-3H3/t6-,7+,9+/m1/s1
InChIKeyFUTNWENYOXSNKX-FJXKBIBVSA-N
MW153.22 g/mol
LogP0.95
Rot. Bonds

About (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one

(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one (PubChem CID 58878664) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one
PubChem CID58878664
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one
SMILESCC1(C)[C@@H]2C(=O)C[C@](C)(N)[C@@H]21
InChIInChI=1S/C9H15NO/c1-8(2)6-5(11)4-9(3,10)7(6)8/h6-7H,4,10H2,1-3H3/t6-,7+,9+/m1/s1
InChIKeyFUTNWENYOXSNKX-FJXKBIBVSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one (CID 58878664) is (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one is CC1(C)[C@@H]2C(=O)C[C@](C)(N)[C@@H]21.
What is the InChIKey of (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one?
The InChIKey is FUTNWENYOXSNKX-FJXKBIBVSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)6-5(11)4-9(3,10)7(6)8/h6-7H,4,10H2,1-3H3/t6-,7+,9+/m1/s1.
What are the key properties of (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one?
(1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one has a molecular weight of 153.22 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-4-amino-4,6,6-trimethylbicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 58878664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).