5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide

C11H19NO — CID 143954935

IUPAC5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCC1CC2CC1C(C)C2C(N)=O
InChIInChI=1S/C11H19NO/c1-3-7-4-8-5-9(7)6(2)10(8)11(12)13/h6-10H,3-5H2,1-2H3,(H2,12,13)
InChIKeyDYWIJQQKXYOEMW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.79
Rot. Bonds2

About 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide

5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 143954935) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID143954935
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCC1CC2CC1C(C)C2C(N)=O
InChIInChI=1S/C11H19NO/c1-3-7-4-8-5-9(7)6(2)10(8)11(12)13/h6-10H,3-5H2,1-2H3,(H2,12,13)
InChIKeyDYWIJQQKXYOEMW-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate
CID 70995611
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
CID 144517019
8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 131983355
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
2-[(1S,2R)-2-methylcyclopropyl]acetamide
CID 93476800
(2S,3R,5S)-3,5-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;(2S,3S,5S)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 91447754
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 169052624
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
CID 143247210

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 143954935) is 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide is CCC1CC2CC1C(C)C2C(N)=O.
What is the InChIKey of 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DYWIJQQKXYOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-4-8-5-9(7)6(2)10(8)11(12)13/h6-10H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide?
5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 143954935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).