(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione

C16H23NO3 — CID 45101514

IUPAC(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
SMILESCC1CC2C[C@]34C(=O)CCCN3CCC[C@@]2(O)C(=O)C14
InChIInChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3/t10?,11?,13?,15-,16+/m1/s1
InChIKeyWSCKIDSKYVDXBA-IBMNZPSKSA-N
MW277.36 g/mol
LogP1.16
Rot. Bonds

About (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione

(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione (PubChem CID 45101514) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione.

Molecular Properties

Compound Name(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
PubChem CID45101514
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
SMILESCC1CC2C[C@]34C(=O)CCCN3CCC[C@@]2(O)C(=O)C14
InChIInChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3/t10?,11?,13?,15-,16+/m1/s1
InChIKeyWSCKIDSKYVDXBA-IBMNZPSKSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
The IUPAC name of (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione (CID 45101514) is (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione.
What is the SMILES notation for (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
The canonical SMILES for (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione is CC1CC2C[C@]34C(=O)CCCN3CCC[C@@]2(O)C(=O)C14.
What is the InChIKey of (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
The InChIKey is WSCKIDSKYVDXBA-IBMNZPSKSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-8-11-9-15-12(18)4-2-6-17(15)7-3-5-16(11,20)14(19)13(10)15/h10-11,13,20H,2-9H2,1H3/t10?,11?,13?,15-,16+/m1/s1.
What are the key properties of (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione?
(1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione has a molecular weight of 277.36 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione is sourced from PubChem (CID 45101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).