(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one

C17H18N2O — CID 71658375

IUPAC(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one
SMILESC=C1c2[nH]c3ccccc3c2[C@@H]2NC(=O)C[C@H]1[C@@H]2CC
InChIInChI=1S/C17H18N2O/c1-3-10-12-8-14(20)19-17(10)15-11-6-4-5-7-13(11)18-16(15)9(12)2/h4-7,10,12,17-18H,2-3,8H2,1H3,(H,19,20)/t10-,12+,17+/m0/s1
InChIKeyVYWUMSZWSXBPHD-GSDQYQHOSA-N
MW266.34 g/mol
LogP3.40
Rot. Bonds1

About (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one

(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one (PubChem CID 71658375) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one.

Molecular Properties

Compound Name(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one
PubChem CID71658375
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one
SMILESC=C1c2[nH]c3ccccc3c2[C@@H]2NC(=O)C[C@H]1[C@@H]2CC
InChIInChI=1S/C17H18N2O/c1-3-10-12-8-14(20)19-17(10)15-11-6-4-5-7-13(11)18-16(15)9(12)2/h4-7,10,12,17-18H,2-3,8H2,1H3,(H,19,20)/t10-,12+,17+/m0/s1
InChIKeyVYWUMSZWSXBPHD-GSDQYQHOSA-N
XLogP3.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one with MolForge

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Related Compounds

(1S,12R,16S)-16-ethyl-15-methyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 3034419
(1R,12S)-16-ethyl-15-methyl-11-methylidene-15-oxido-9-aza-15-azoniatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 21123692
2-[2-(dimethylamino)ethyl]-3-ethyl-1-methylidene-2,3,4,9-tetrahydrocarbazole-4-carbonitrile
CID 610036
bis(9H-carbazole);propane
CID 90987002
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
ethyl (1S,12S,15R)-9-azatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15-carboxylate
CID 134194719
2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
CID 101102984
bis(9H-carbazole);platinum(2+)
CID 175826437
1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
CID 132988443
10H-acridin-9-one;ethane
CID 91525380
(1R,13S,17S)-17-ethyl-16-[(1R)-2-hydroxy-1-phenylethyl]-9,16-diazatetracyclo[11.3.1.02,10.03,8]heptadeca-2(10),3,5,7-tetraen-15-one
CID 53348386

Frequently Asked Questions

What is the IUPAC name of (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one?
The IUPAC name of (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one (CID 71658375) is (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one.
What is the SMILES notation for (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one?
The canonical SMILES for (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one is C=C1c2[nH]c3ccccc3c2[C@@H]2NC(=O)C[C@H]1[C@@H]2CC.
What is the InChIKey of (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one?
The InChIKey is VYWUMSZWSXBPHD-GSDQYQHOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-10-12-8-14(20)19-17(10)15-11-6-4-5-7-13(11)18-16(15)9(12)2/h4-7,10,12,17-18H,2-3,8H2,1H3,(H,19,20)/t10-,12+,17+/m0/s1.
What are the key properties of (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one?
(1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one has a molecular weight of 266.34 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12S,16S)-16-ethyl-11-methylidene-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-14-one is sourced from PubChem (CID 71658375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).