11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C19H22N2O2 — CID 59200877

IUPAC11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cc(CO)cc2n1CC1CC2CN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-13-15-7-18-17-6-16(11-21(18)19(23)8-15)10-20(12-17)9-14-4-2-1-3-5-14/h1-5,7-8,16-17,22H,6,9-13H2
InChIKeyIJIAREJZZVPKSF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.96
Rot. Bonds3

About 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 59200877) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID59200877
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cc(CO)cc2n1CC1CC2CN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-13-15-7-18-17-6-16(11-21(18)19(23)8-15)10-20(12-17)9-14-4-2-1-3-5-14/h1-5,7-8,16-17,22H,6,9-13H2
InChIKeyIJIAREJZZVPKSF-UHFFFAOYSA-N
XLogP1.96
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one with MolForge

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Related Compounds

(1R,9S)-11-[(4-ethylphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 23911018
(1S,9S)-11-[(4-bromophenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98117841
(1S,9S)-11-(naphthalen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98117828
(1S,9S)-11-[[3-[hydroxy(oxido)amino]phenyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163134960
(1R,9S)-11-[(2-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 767403
N-hydroxy-4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]benzeneamine oxide
CID 163119922
11-[(4-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 2857346
11-[[4-(trifluoromethyl)phenyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 146077830
N-[4-(11-benzyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl)phenyl]acetamide
CID 78524324
(1S,9S)-11-[(2S)-2-hydroxy-3-phenylpropyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98135566
(1S,9S)-11-[[4-(diethylamino)phenyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98117834
(1R,9S)-11-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 175644168

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 59200877) is 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1cc(CO)cc2n1CC1CC2CN(Cc2ccccc2)C1.
What is the InChIKey of 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is IJIAREJZZVPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-13-15-7-18-17-6-16(11-21(18)19(23)8-15)10-20(12-17)9-14-4-2-1-3-5-14/h1-5,7-8,16-17,22H,6,9-13H2.
What are the key properties of 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 310.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-4-(hydroxymethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 59200877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).