1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide

C11H18N2O2 — CID 111758296

IUPAC1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-9(14)4-7-13(2)10(15)11(8-12)5-3-6-11/h9,14H,3-7H2,1-2H3
InChIKeyFDRWEZMWOZNDGX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds4

About 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide

1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 111758296) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
PubChem CID111758296
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-9(14)4-7-13(2)10(15)11(8-12)5-3-6-11/h9,14H,3-7H2,1-2H3
InChIKeyFDRWEZMWOZNDGX-UHFFFAOYSA-N
XLogP0.91
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide (CID 111758296) is 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide is CC(O)CCN(C)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is FDRWEZMWOZNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)4-7-13(2)10(15)11(8-12)5-3-6-11/h9,14H,3-7H2,1-2H3.
What are the key properties of 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide?
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 111758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).