(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide

C12H19NO — CID 70267295

IUPAC(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide
SMILESNC(=O)[C@@]12CC3C[C@H](CCC[C@H]3C1)C2
InChIInChI=1S/C12H19NO/c13-11(14)12-5-8-2-1-3-9(6-12)10(4-8)7-12/h8-10H,1-7H2,(H2,13,14)/t8-,9-,10?,12+/m0/s1
InChIKeyHZQDQENAKTUWIH-NBEZOXGKSA-N
MW193.29 g/mol
LogP2.08
Rot. Bonds1

About (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide

(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide (PubChem CID 70267295) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide.

Molecular Properties

Compound Name(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide
PubChem CID70267295
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide
SMILESNC(=O)[C@@]12CC3C[C@H](CCC[C@H]3C1)C2
InChIInChI=1S/C12H19NO/c13-11(14)12-5-8-2-1-3-9(6-12)10(4-8)7-12/h8-10H,1-7H2,(H2,13,14)/t8-,9-,10?,12+/m0/s1
InChIKeyHZQDQENAKTUWIH-NBEZOXGKSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(3.2.1)octane-3-carboxamide, 3-methyl-
CID 3086419
Bicyclo(3.2.1)octane-3-carboxamide, 3-ethyl-
CID 13370228
Bicyclo(3.2.l)octane-3-carboxamide, 3-(1-methylethyl)-
CID 13370229
(1S,5R,6R,8R)-8-fluoro-1,6-dimethylbicyclo[3.2.1]octane-6-carboxamide
CID 11816471
8-Fluoro-1,6-dimethylbicyclo[3.2.1]octane-6-carboxamide
CID 73115355
2-Ethyl-endo-2-norbornanecarboxamide
CID 156008955
2-Propyl-endo-2-norbornanecarboxamide
CID 156008995
2,7-Dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 129995977
3-Methylbicyclo[3.2.1]octane-1-carboxamide
CID 17986088
Tricyclo[4.3.1.12,5]undecane-1-carboxamide
CID 54046351
Bicyclo[3.2.1]octane-3-carboxamide
CID 54339658
Bicyclo[3.2.1]octane-1-carboxamide
CID 57255847

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide?
The IUPAC name of (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide (CID 70267295) is (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide.
What is the SMILES notation for (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide?
The canonical SMILES for (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide is NC(=O)[C@@]12CC3C[C@H](CCC[C@H]3C1)C2.
What is the InChIKey of (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide?
The InChIKey is HZQDQENAKTUWIH-NBEZOXGKSA-N. The full InChI is InChI=1S/C12H19NO/c13-11(14)12-5-8-2-1-3-9(6-12)10(4-8)7-12/h8-10H,1-7H2,(H2,13,14)/t8-,9-,10?,12+/m0/s1.
What are the key properties of (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide?
(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide is sourced from PubChem (CID 70267295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).