N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H17NO2 — CID 557216

IUPACN-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCc1ccco1)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H17NO2/c16-14(15-7-10-2-1-5-17-10)13-11-8-3-4-9(6-8)12(11)13/h1-2,5,8-9,11-13H,3-4,6-7H2,(H,15,16)
InChIKeyDOHVNPVMJWEUJI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.19
Rot. Bonds3

About N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 557216) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID557216
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCc1ccco1)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H17NO2/c16-14(15-7-10-2-1-5-17-10)13-11-8-3-4-9(6-8)12(11)13/h1-2,5,8-9,11-13H,3-4,6-7H2,(H,15,16)
InChIKeyDOHVNPVMJWEUJI-UHFFFAOYSA-N
XLogP2.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
(1R,2R,3S,4R)-3-(furan-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124724780
4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 6594091
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47128746
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 557216) is N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NCc1ccco1)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is DOHVNPVMJWEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-7-10-2-1-5-17-10)13-11-8-3-4-9(6-8)12(11)13/h1-2,5,8-9,11-13H,3-4,6-7H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 557216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).