1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile

C7H12N2O — CID 62588040

IUPAC1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile
SMILESN#CC1(NCCO)CCC1
InChIInChI=1S/C7H12N2O/c8-6-7(2-1-3-7)9-4-5-10/h9-10H,1-5H2
InChIKeyZKCGLRFUQYMDNW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.01
Rot. Bonds3

About 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile

1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile (PubChem CID 62588040) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile
PubChem CID62588040
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile
SMILESN#CC1(NCCO)CCC1
InChIInChI=1S/C7H12N2O/c8-6-7(2-1-3-7)9-4-5-10/h9-10H,1-5H2
InChIKeyZKCGLRFUQYMDNW-UHFFFAOYSA-N
XLogP0.01
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile (CID 62588040) is 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile is N#CC1(NCCO)CCC1.
What is the InChIKey of 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile?
The InChIKey is ZKCGLRFUQYMDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-7(2-1-3-7)9-4-5-10/h9-10H,1-5H2.
What are the key properties of 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile?
1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 62588040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).