5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide

C14H14N2O2 — CID 16656043

IUPAC5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
SMILESNC(=O)c1oc2c(c1N)CCCc1ccccc1-2
InChIInChI=1S/C14H14N2O2/c15-11-10-7-3-5-8-4-1-2-6-9(8)12(10)18-13(11)14(16)17/h1-2,4,6H,3,5,7,15H2,(H2,16,17)
InChIKeyLYGHIYKUFUAASK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.12
Rot. Bonds1

About 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide

5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide (PubChem CID 16656043) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
PubChem CID16656043
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
SMILESNC(=O)c1oc2c(c1N)CCCc1ccccc1-2
InChIInChI=1S/C14H14N2O2/c15-11-10-7-3-5-8-4-1-2-6-9(8)12(10)18-13(11)14(16)17/h1-2,4,6H,3,5,7,15H2,(H2,16,17)
InChIKeyLYGHIYKUFUAASK-UHFFFAOYSA-N
XLogP2.12
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
CID 67610291
5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
CID 71560353
5-phenyl-6-pyrrolidin-1-yl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
CID 14873219
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
CID 143654538
6-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898
5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
CID 167989756
3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine
CID 14828218
4-cyclopropylidene-2,3-dihydro-1H-naphthalene
CID 71426688
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)propanoic acid
CID 135039237
(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
CID 142003176

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The IUPAC name of 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide (CID 16656043) is 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide.
What is the SMILES notation for 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The canonical SMILES for 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide is NC(=O)c1oc2c(c1N)CCCc1ccccc1-2.
What is the InChIKey of 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The InChIKey is LYGHIYKUFUAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-11-10-7-3-5-8-4-1-2-6-9(8)12(10)18-13(11)14(16)17/h1-2,4,6H,3,5,7,15H2,(H2,16,17).
What are the key properties of 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide is sourced from PubChem (CID 16656043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).