N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C13H17N3O — CID 103761880

IUPACN-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCc1cnc[nH]1)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H17N3O/c17-13(15-5-9-4-14-6-16-9)12-10-7-1-2-8(3-7)11(10)12/h4,6-8,10-12H,1-3,5H2,(H,14,16)(H,15,17)
InChIKeyBAIOEBQNWNGEOG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.32
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103761880) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103761880
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCc1cnc[nH]1)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H17N3O/c17-13(15-5-9-4-14-6-16-9)12-10-7-1-2-8(3-7)11(10)12/h4,6-8,10-12H,1-3,5H2,(H,14,16)(H,15,17)
InChIKeyBAIOEBQNWNGEOG-UHFFFAOYSA-N
XLogP1.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103761880) is N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NCc1cnc[nH]1)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is BAIOEBQNWNGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(15-5-9-4-14-6-16-9)12-10-7-1-2-8(3-7)11(10)12/h4,6-8,10-12H,1-3,5H2,(H,14,16)(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103761880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).