(9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione

C16H21NO2 — CID 164674396

IUPAC(9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione
SMILESCC1C=C2N3CCC[C@@H]4C(=O)CC(C1)C24CCC3=O
InChIInChI=1S/C16H21NO2/c1-10-7-11-9-13(18)12-3-2-6-17-14(8-10)16(11,12)5-4-15(17)19/h8,10-12H,2-7,9H2,1H3/t10?,11?,12-,16?/m1/s1
InChIKeyNIDZLJFSAMEWOZ-FUQGYSAHSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds

About (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione

(9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione (PubChem CID 164674396) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione.

Molecular Properties

Compound Name(9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione
PubChem CID164674396
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione
SMILESCC1C=C2N3CCC[C@@H]4C(=O)CC(C1)C24CCC3=O
InChIInChI=1S/C16H21NO2/c1-10-7-11-9-13(18)12-3-2-6-17-14(8-10)16(11,12)5-4-15(17)19/h8,10-12H,2-7,9H2,1H3/t10?,11?,12-,16?/m1/s1
InChIKeyNIDZLJFSAMEWOZ-FUQGYSAHSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione?
The IUPAC name of (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione (CID 164674396) is (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione.
What is the SMILES notation for (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione?
The canonical SMILES for (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione is CC1C=C2N3CCC[C@@H]4C(=O)CC(C1)C24CCC3=O.
What is the InChIKey of (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione?
The InChIKey is NIDZLJFSAMEWOZ-FUQGYSAHSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-7-11-9-13(18)12-3-2-6-17-14(8-10)16(11,12)5-4-15(17)19/h8,10-12H,2-7,9H2,1H3/t10?,11?,12-,16?/m1/s1.
What are the key properties of (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione?
(9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione has a molecular weight of 259.35 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-ene-8,14-dione is sourced from PubChem (CID 164674396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).