N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide

C10H16N2O — CID 62645637

IUPACN-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
SMILESCCC(CC#N)NC(=O)CC1CC1
InChIInChI=1S/C10H16N2O/c1-2-9(5-6-11)12-10(13)7-8-3-4-8/h8-9H,2-5,7H2,1H3,(H,12,13)
InChIKeyBYFHPFGJMQNMGK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds5

About N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide

N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide (PubChem CID 62645637) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
PubChem CID62645637
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
SMILESCCC(CC#N)NC(=O)CC1CC1
InChIInChI=1S/C10H16N2O/c1-2-9(5-6-11)12-10(13)7-8-3-4-8/h8-9H,2-5,7H2,1H3,(H,12,13)
InChIKeyBYFHPFGJMQNMGK-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-aminobutan-2-yl)-2-cyclopropylacetamide
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N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
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2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918
N-(1-cyanobutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114825540
2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide
CID 81168477
N-(1-cyanobutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475936
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide
CID 62646915

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide (CID 62645637) is N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide is CCC(CC#N)NC(=O)CC1CC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide?
The InChIKey is BYFHPFGJMQNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-9(5-6-11)12-10(13)7-8-3-4-8/h8-9H,2-5,7H2,1H3,(H,12,13).
What are the key properties of N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide?
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide has a molecular weight of 180.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide is sourced from PubChem (CID 62645637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).