1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide

C11H16N2O2 — CID 115776345

IUPAC1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCN(CCO)C(=O)C1(C#N)CCC1
InChIInChI=1S/C11H16N2O2/c1-2-6-13(7-8-14)10(15)11(9-12)4-3-5-11/h2,14H,1,3-8H2
InChIKeyGHIZSHCGVCSTPA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.69
Rot. Bonds5

About 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide

1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 115776345) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide
PubChem CID115776345
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCN(CCO)C(=O)C1(C#N)CCC1
InChIInChI=1S/C11H16N2O2/c1-2-6-13(7-8-14)10(15)11(9-12)4-3-5-11/h2,14H,1,3-8H2
InChIKeyGHIZSHCGVCSTPA-UHFFFAOYSA-N
XLogP0.69
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80598505
1-cyano-N,N-dipropylcyclopentane-1-carboxamide
CID 60719042
N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
CID 80591690
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 55207999
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 115776126
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 78994668
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 79487122
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
CID 120613726

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide (CID 115776345) is 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide is C=CCN(CCO)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is GHIZSHCGVCSTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-6-13(7-8-14)10(15)11(9-12)4-3-5-11/h2,14H,1,3-8H2.
What are the key properties of 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide?
1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 115776345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).