N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H25NO2 — CID 71847161

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1C2CCC(C2)C1CO)C1CC2CCC1C2
InChIInChI=1S/C16H25NO2/c18-8-14-11-3-4-12(7-11)15(14)17-16(19)13-6-9-1-2-10(13)5-9/h9-15,18H,1-8H2,(H,17,19)
InChIKeyCCFCDBREPVNJKP-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.95
Rot. Bonds3

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71847161) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71847161
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1C2CCC(C2)C1CO)C1CC2CCC1C2
InChIInChI=1S/C16H25NO2/c18-8-14-11-3-4-12(7-11)15(14)17-16(19)13-6-9-1-2-10(13)5-9/h9-15,18H,1-8H2,(H,17,19)
InChIKeyCCFCDBREPVNJKP-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 71847161) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1C2CCC(C2)C1CO)C1CC2CCC1C2.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CCFCDBREPVNJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-8-14-11-3-4-12(7-11)15(14)17-16(19)13-6-9-1-2-10(13)5-9/h9-15,18H,1-8H2,(H,17,19).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71847161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).