1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid

C11H17NO2 — CID 22182726

IUPAC1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid
SMILESCCCC1(CCC)CC1(C#N)C(=O)O
InChIInChI=1S/C11H17NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeySSDOLKHWMZPXPT-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.57
Rot. Bonds5

About 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid

1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid (PubChem CID 22182726) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid
PubChem CID22182726
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid
SMILESCCCC1(CCC)CC1(C#N)C(=O)O
InChIInChI=1S/C11H17NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeySSDOLKHWMZPXPT-UHFFFAOYSA-N
XLogP2.57
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyano-2,2-difluorocyclopropane-1-carboxylic acid
CID 45084701
1-propylcyclopropane-1-carbonyl cyanide
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3-hydroxy-3-methyl-1-propylcyclobutane-1-carboxylic acid
CID 115014004
1-cyano-3-propylcyclobutane-1-carboxylic acid
CID 65014143
2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid
CID 69176349
1-propylcyclooctane-1-carboxylic acid
CID 80611944
(1S,2S)-1,2-dipropylcyclohex-4-ene-1,2-dicarboxylic acid
CID 146562587
2-chloro-5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid
CID 57254125
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
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1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid (CID 22182726) is 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid is CCCC1(CCC)CC1(C#N)C(=O)O.
What is the InChIKey of 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid?
The InChIKey is SSDOLKHWMZPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid?
1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2,2-dipropylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 22182726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).