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

C14H15NO2 — CID 123335493

IUPACN-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(CO)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H15NO2/c1-14(2,7-16)15-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11,16H,7H2,1-2H3,(H,15,17)
InChIKeyXWUBRPIUUMHQFA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.24
Rot. Bonds3

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

N-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123335493) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123335493
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(CO)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H15NO2/c1-14(2,7-16)15-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11,16H,7H2,1-2H3,(H,15,17)
InChIKeyXWUBRPIUUMHQFA-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 123580742
CID 123580742
CID 123173538
CID 123173538
CID 123343760
CID 123343760
CID 123433989
CID 123433989
CID 123466724
CID 123466724
CID 123696834
CID 123696834
CID 123752809
CID 123752809
CID 123870466
CID 123870466
CID 123906266
CID 123906266
CID 124024880
CID 124024880
CID 124027398
CID 124027398
CID 141293137
CID 141293137

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-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-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123335493) is N-(1-hydroxy-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-hydroxy-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-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)(CO)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is XWUBRPIUUMHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2,7-16)15-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11,16H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123335493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).