(9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one

C15H20N2O — CID 163802154

IUPAC(9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one
SMILESC[C@@H]1C2c3ccc(=O)[nH]c3C[C@H]1[C@@H]1CCCN[C@H]21
InChIInChI=1S/C15H20N2O/c1-8-11-7-12-10(4-5-13(18)17-12)14(8)15-9(11)3-2-6-16-15/h4-5,8-9,11,14-16H,2-3,6-7H2,1H3,(H,17,18)/t8-,9-,11+,14?,15-/m0/s1
InChIKeyNFXUOYDGLKDJNV-PYTYNQPCSA-N
MW244.34 g/mol
LogP1.65
Rot. Bonds

About (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one

(9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one (PubChem CID 163802154) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one.

Molecular Properties

Compound Name(9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one
PubChem CID163802154
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one
SMILESC[C@@H]1C2c3ccc(=O)[nH]c3C[C@H]1[C@@H]1CCCN[C@H]21
InChIInChI=1S/C15H20N2O/c1-8-11-7-12-10(4-5-13(18)17-12)14(8)15-9(11)3-2-6-16-15/h4-5,8-9,11,14-16H,2-3,6-7H2,1H3,(H,17,18)/t8-,9-,11+,14?,15-/m0/s1
InChIKeyNFXUOYDGLKDJNV-PYTYNQPCSA-N
XLogP1.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one?
The IUPAC name of (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one (CID 163802154) is (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one.
What is the SMILES notation for (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one?
The canonical SMILES for (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one is C[C@@H]1C2c3ccc(=O)[nH]c3C[C@H]1[C@@H]1CCCN[C@H]21.
What is the InChIKey of (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one?
The InChIKey is NFXUOYDGLKDJNV-PYTYNQPCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-8-11-7-12-10(4-5-13(18)17-12)14(8)15-9(11)3-2-6-16-15/h4-5,8-9,11,14-16H,2-3,6-7H2,1H3,(H,17,18)/t8-,9-,11+,14?,15-/m0/s1.
What are the key properties of (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one?
(9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one has a molecular weight of 244.34 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S,15S,16S)-16-methyl-6,14-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3-dien-5-one is sourced from PubChem (CID 163802154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).