10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one

C19H19N3O2 — CID 163119799

IUPAC10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
SMILESCN1CCc2c[nH]c3c2C1C=C(NC=Cc1ccc(O)cc1)C3=O
InChIInChI=1S/C19H19N3O2/c1-22-9-7-13-11-21-18-17(13)16(22)10-15(19(18)24)20-8-6-12-2-4-14(23)5-3-12/h2-6,8,10-11,16,20-21,23H,7,9H2,1H3
InChIKeyBCPIHSDDTNFUBV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.59
Rot. Bonds3

About 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one

10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one (PubChem CID 163119799) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one.

Molecular Properties

Compound Name10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
PubChem CID163119799
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
SMILESCN1CCc2c[nH]c3c2C1C=C(NC=Cc1ccc(O)cc1)C3=O
InChIInChI=1S/C19H19N3O2/c1-22-9-7-13-11-21-18-17(13)16(22)10-15(19(18)24)20-8-6-12-2-4-14(23)5-3-12/h2-6,8,10-11,16,20-21,23H,7,9H2,1H3
InChIKeyBCPIHSDDTNFUBV-UHFFFAOYSA-N
XLogP2.59
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
The IUPAC name of 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one (CID 163119799) is 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one.
What is the SMILES notation for 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
The canonical SMILES for 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one is CN1CCc2c[nH]c3c2C1C=C(NC=Cc1ccc(O)cc1)C3=O.
What is the InChIKey of 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
The InChIKey is BCPIHSDDTNFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-9-7-13-11-21-18-17(13)16(22)10-15(19(18)24)20-8-6-12-2-4-14(23)5-3-12/h2-6,8,10-11,16,20-21,23H,7,9H2,1H3.
What are the key properties of 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one?
10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one has a molecular weight of 321.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-hydroxyphenyl)ethenylamino]-7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one is sourced from PubChem (CID 163119799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).