N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H15NO3 — CID 141292942

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(CO)(CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO3/c1-14(6-16,7-17)15-13(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,16-17H,4,6-7H2,1H3,(H,15,18)
InChIKeyKMVFZQRYCSSWEN-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.35
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292942) 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-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292942
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-1,4,6,8-tetraene-7-carboxamide
SMILESCC(CO)(CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO3/c1-14(6-16,7-17)15-13(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,16-17H,4,6-7H2,1H3,(H,15,18)
InChIKeyKMVFZQRYCSSWEN-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 141293201
CID 141293201
CID 24794412
CID 24794412
CID 140307376
CID 140307376
CID 141292832
CID 141292832
CID 141292843
CID 141292843
CID 141292898
CID 141292898
CID 141292944
CID 141292944
CID 141292951
CID 141292951
CID 141292954
CID 141292954
CID 141292993
CID 141292993
CID 141293036
CID 141293036
CID 141293055
CID 141293055

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292942) is N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(CO)(CO)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is KMVFZQRYCSSWEN-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/h2-3,5,16-17H,4,6-7H2,1H3,(H,15,18).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.35, 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-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).