N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C14H15NO3 — CID 123696834

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(CO)(CO)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H15NO3/c1-14(6-16,7-17)15-13(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-5,11,16-17H,6-7H2,1H3,(H,15,18)
InChIKeyRAEWJYSKOXEWDJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.21
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123696834) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123696834
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(CO)(CO)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H15NO3/c1-14(6-16,7-17)15-13(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-5,11,16-17H,6-7H2,1H3,(H,15,18)
InChIKeyRAEWJYSKOXEWDJ-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123696834) is N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(CO)(CO)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is RAEWJYSKOXEWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(6-16,7-17)15-13(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-5,11,16-17H,6-7H2,1H3,(H,15,18).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123696834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).