N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C16H17NO3 — CID 123173538

IUPACN-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C16H17NO3/c18-9-16(3-5-20-6-4-16)17-15(19)12-2-1-11-13-7-10(13)8-14(11)12/h1-2,7-8,13,18H,3-6,9H2,(H,17,19)
InChIKeyMDEPVKUXYSHECQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.01
Rot. Bonds3

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

N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123173538) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123173538
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C16H17NO3/c18-9-16(3-5-20-6-4-16)17-15(19)12-2-1-11-13-7-10(13)8-14(11)12/h1-2,7-8,13,18H,3-6,9H2,(H,17,19)
InChIKeyMDEPVKUXYSHECQ-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123173538) is N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is O=C(NC1(CO)CCOCC1)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is MDEPVKUXYSHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-9-16(3-5-20-6-4-16)17-15(19)12-2-1-11-13-7-10(13)8-14(11)12/h1-2,7-8,13,18H,3-6,9H2,(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123173538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).