tricyclo[4.3.1.12,5]undecane-1-carboxamide

C12H19NO — CID 54046351

IUPACtricyclo[4.3.1.12,5]undecane-1-carboxamide
SMILESNC(=O)C12CCCC(C1)C1CCC2C1
InChIInChI=1S/C12H19NO/c13-11(14)12-5-1-2-9(7-12)8-3-4-10(12)6-8/h8-10H,1-7H2,(H2,13,14)
InChIKeyLPVWGXGUUQRSKZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.08
Rot. Bonds1

About tricyclo[4.3.1.12,5]undecane-1-carboxamide

tricyclo[4.3.1.12,5]undecane-1-carboxamide (PubChem CID 54046351) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is tricyclo[4.3.1.12,5]undecane-1-carboxamide.

Molecular Properties

Compound Nametricyclo[4.3.1.12,5]undecane-1-carboxamide
PubChem CID54046351
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nametricyclo[4.3.1.12,5]undecane-1-carboxamide
SMILESNC(=O)C12CCCC(C1)C1CCC2C1
InChIInChI=1S/C12H19NO/c13-11(14)12-5-1-2-9(7-12)8-3-4-10(12)6-8/h8-10H,1-7H2,(H2,13,14)
InChIKeyLPVWGXGUUQRSKZ-UHFFFAOYSA-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[3.1.0]hexane-1-carboxamide
CID 55288730
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxamide
CID 12962923
1-cyclopropylcyclohexane-1-carboxamide
CID 57435201
tricyclo[4.3.1.12,5]undecan-1-amine
CID 18965986
(1R,1'R,2S,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide
CID 164833596
[(1R,2R,5S,6S)-1-tricyclo[4.3.1.12,5]undecanyl] butanoate
CID 125470294
1-[(1S,1'S,2S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439862
1-[(1S,1'R,2R,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439845
(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide
CID 70267295
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 68593661
1-cyclopentyl-3-cyclopropylcyclohexan-1-amine
CID 64595261
(1R,6S)-bicyclo[4.1.0]heptane-1-carbonyl chloride
CID 98072133

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.12,5]undecane-1-carboxamide?
The IUPAC name of tricyclo[4.3.1.12,5]undecane-1-carboxamide (CID 54046351) is tricyclo[4.3.1.12,5]undecane-1-carboxamide.
What is the SMILES notation for tricyclo[4.3.1.12,5]undecane-1-carboxamide?
The canonical SMILES for tricyclo[4.3.1.12,5]undecane-1-carboxamide is NC(=O)C12CCCC(C1)C1CCC2C1.
What is the InChIKey of tricyclo[4.3.1.12,5]undecane-1-carboxamide?
The InChIKey is LPVWGXGUUQRSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-11(14)12-5-1-2-9(7-12)8-3-4-10(12)6-8/h8-10H,1-7H2,(H2,13,14).
What are the key properties of tricyclo[4.3.1.12,5]undecane-1-carboxamide?
tricyclo[4.3.1.12,5]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 tricyclo[4.3.1.12,5]undecane-1-carboxamide is sourced from PubChem (CID 54046351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).