1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide

C19H19NO — CID 87276895

IUPAC1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide
SMILESNC(=O)C1CCC2C=c3cc4ccccc4cc3=CC2C1
InChIInChI=1S/C19H19NO/c20-19(21)15-6-5-14-9-17-7-12-3-1-2-4-13(12)8-18(17)11-16(14)10-15/h1-4,7-9,11,14-16H,5-6,10H2,(H2,20,21)
InChIKeyLGTVNBTZEJRRRO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds1

About 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide

1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide (PubChem CID 87276895) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide.

Molecular Properties

Compound Name1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide
PubChem CID87276895
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide
SMILESNC(=O)C1CCC2C=c3cc4ccccc4cc3=CC2C1
InChIInChI=1S/C19H19NO/c20-19(21)15-6-5-14-9-17-7-12-3-1-2-4-13(12)8-18(17)11-16(14)10-15/h1-4,7-9,11,14-16H,5-6,10H2,(H2,20,21)
InChIKeyLGTVNBTZEJRRRO-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide?
The IUPAC name of 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide (CID 87276895) is 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide.
What is the SMILES notation for 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide?
The canonical SMILES for 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide is NC(=O)C1CCC2C=c3cc4ccccc4cc3=CC2C1.
What is the InChIKey of 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide?
The InChIKey is LGTVNBTZEJRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c20-19(21)15-6-5-14-9-17-7-12-3-1-2-4-13(12)8-18(17)11-16(14)10-15/h1-4,7-9,11,14-16H,5-6,10H2,(H2,20,21).
What are the key properties of 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide?
1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,12a-hexahydrotetracene-2-carboxamide is sourced from PubChem (CID 87276895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).