1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide

C10H16N2O2 — CID 80599574

IUPAC1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CCO)C(=O)C1(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-8(2)12(5-6-13)9(14)10(7-11)3-4-10/h8,13H,3-6H2,1-2H3
InChIKeyMBJZDXVJPFLEMR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds4

About 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide

1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 80599574) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID80599574
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CCO)C(=O)C1(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-8(2)12(5-6-13)9(14)10(7-11)3-4-10/h8,13H,3-6H2,1-2H3
InChIKeyMBJZDXVJPFLEMR-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 80599574) is 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(CCO)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is MBJZDXVJPFLEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)12(5-6-13)9(14)10(7-11)3-4-10/h8,13H,3-6H2,1-2H3.
What are the key properties of 1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide?
1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.52, 4 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-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 80599574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).