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

C14H15NO3 — CID 141293055

IUPACN-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO3/c1-7(17)13(6-16)15-14(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,7,13,16-17H,4,6H2,1H3,(H,15,18)/t7-,13-/m1/s1
InChIKeyZUPHYPLBBNQAHY-FUXBKTLASA-N
MW245.28 g/mol
LogP0.35
Rot. Bonds4

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

N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293055) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293055
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO3/c1-7(17)13(6-16)15-14(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,7,13,16-17H,4,6H2,1H3,(H,15,18)/t7-,13-/m1/s1
InChIKeyZUPHYPLBBNQAHY-FUXBKTLASA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293055) is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is C[C@@H](O)[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is ZUPHYPLBBNQAHY-FUXBKTLASA-N. The full InChI is InChI=1S/C14H15NO3/c1-7(17)13(6-16)15-14(18)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,7,13,16-17H,4,6H2,1H3,(H,15,18)/t7-,13-/m1/s1.
What are the key properties of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2R,3R)-1,3-dihydroxybutan-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-[(2R,3R)-1,3-dihydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).