(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one

C17H27NO — CID 135020075

IUPAC(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one
SMILESC[C@@H]1CCCN2CCCC3C2=C[C@H](C)C[C@H]3CC1=O
InChIInChI=1S/C17H27NO/c1-12-9-14-11-17(19)13(2)5-3-7-18-8-4-6-15(14)16(18)10-12/h10,12-15H,3-9,11H2,1-2H3/t12-,13-,14+,15?/m1/s1
InChIKeyHYDVNHIPOCGKEE-JKXDFHQYSA-N
MW261.41 g/mol
LogP3.63
Rot. Bonds

About (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one

(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one (PubChem CID 135020075) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one.

Molecular Properties

Compound Name(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one
PubChem CID135020075
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one
SMILESC[C@@H]1CCCN2CCCC3C2=C[C@H](C)C[C@H]3CC1=O
InChIInChI=1S/C17H27NO/c1-12-9-14-11-17(19)13(2)5-3-7-18-8-4-6-15(14)16(18)10-12/h10,12-15H,3-9,11H2,1-2H3/t12-,13-,14+,15?/m1/s1
InChIKeyHYDVNHIPOCGKEE-JKXDFHQYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one with MolForge

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Related Compounds

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CID 10130859
1,5,6-Trimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
CID 10131130
1-Methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
CID 10220077
1,5-Dimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
CID 22282054
1,6,8-Trimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
CID 22282076
1,5,6,8-Tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
CID 22282098
1,5,8-Trimethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
CID 22282106
(10bS)-4-(3-bromopropyl)-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
CID 56980533
(10bS)-4-(2-cyclohexylethyl)-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
CID 57020497
(10bS)-3-methyl-4-propyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
CID 57021969
(10bS)-3-methyl-4-prop-2-enyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
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Frequently Asked Questions

What is the IUPAC name of (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one?
The IUPAC name of (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one (CID 135020075) is (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one.
What is the SMILES notation for (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one?
The canonical SMILES for (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one is C[C@@H]1CCCN2CCCC3C2=C[C@H](C)C[C@H]3CC1=O.
What is the InChIKey of (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one?
The InChIKey is HYDVNHIPOCGKEE-JKXDFHQYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-14-11-17(19)13(2)5-3-7-18-8-4-6-15(14)16(18)10-12/h10,12-15H,3-9,11H2,1-2H3/t12-,13-,14+,15?/m1/s1.
What are the key properties of (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one?
(9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one has a molecular weight of 261.41 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,12S,14R)-9,14-dimethyl-5-azatricyclo[10.4.0.05,16]hexadec-15-en-10-one is sourced from PubChem (CID 135020075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).