N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H17NO2 — CID 2836992

IUPACN-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccco1)C1CC2CCC1C2
InChIInChI=1S/C13H17NO2/c15-13(14-8-11-2-1-5-16-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,14,15)
InChIKeyQECZLPBEKKZRFH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.33
Rot. Bonds3

About N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2836992) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2836992
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccco1)C1CC2CCC1C2
InChIInChI=1S/C13H17NO2/c15-13(14-8-11-2-1-5-16-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,14,15)
InChIKeyQECZLPBEKKZRFH-UHFFFAOYSA-N
XLogP2.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2836992) is N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ccco1)C1CC2CCC1C2.
What is the InChIKey of N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QECZLPBEKKZRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(14-8-11-2-1-5-16-11)12-7-9-3-4-10(12)6-9/h1-2,5,9-10,12H,3-4,6-8H2,(H,14,15).
What are the key properties of N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(furan-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.33, 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)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2836992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).