3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen

C16H20N2O3 — CID 160638282

IUPAC3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
SMILESC=C1CC[C@@H](n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.[H][H]
InChIInChI=1S/C16H18N2O3.H2/c1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;/h5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);1H/t13-;/m1./s1
InChIKeyRIVFUECTHUBDEN-BTQNPOSSSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds2

About 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen

3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen (PubChem CID 160638282) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
PubChem CID160638282
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
SMILESC=C1CC[C@@H](n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.[H][H]
InChIInChI=1S/C16H18N2O3.H2/c1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;/h5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);1H/t13-;/m1./s1
InChIKeyRIVFUECTHUBDEN-BTQNPOSSSA-N
XLogP2.93
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen?
The IUPAC name of 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen (CID 160638282) is 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen.
What is the SMILES notation for 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen?
The canonical SMILES for 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen is C=C1CC[C@@H](n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.[H][H].
What is the InChIKey of 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen?
The InChIKey is RIVFUECTHUBDEN-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H18N2O3.H2/c1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;/h5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);1H/t13-;/m1./s1.
What are the key properties of 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen?
3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen has a molecular weight of 288.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen is sourced from PubChem (CID 160638282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).