1-amino-3-methoxycyclobutane-1-carbonitrile

C6H10N2O — CID 106822374

IUPAC1-amino-3-methoxycyclobutane-1-carbonitrile
SMILESCOC1CC(N)(C#N)C1
InChIInChI=1S/C6H10N2O/c1-9-5-2-6(8,3-5)4-7/h5H,2-3,8H2,1H3
InChIKeyFDDIAMXZKABMGK-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.02
Rot. Bonds1

About 1-amino-3-methoxycyclobutane-1-carbonitrile

1-amino-3-methoxycyclobutane-1-carbonitrile (PubChem CID 106822374) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-amino-3-methoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-3-methoxycyclobutane-1-carbonitrile
PubChem CID106822374
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-amino-3-methoxycyclobutane-1-carbonitrile
SMILESCOC1CC(N)(C#N)C1
InChIInChI=1S/C6H10N2O/c1-9-5-2-6(8,3-5)4-7/h5H,2-3,8H2,1H3
InChIKeyFDDIAMXZKABMGK-UHFFFAOYSA-N
XLogP0.02
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methoxycyclobutane-1-carbonitrile?
The IUPAC name of 1-amino-3-methoxycyclobutane-1-carbonitrile (CID 106822374) is 1-amino-3-methoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-amino-3-methoxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-amino-3-methoxycyclobutane-1-carbonitrile is COC1CC(N)(C#N)C1.
What is the InChIKey of 1-amino-3-methoxycyclobutane-1-carbonitrile?
The InChIKey is FDDIAMXZKABMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-9-5-2-6(8,3-5)4-7/h5H,2-3,8H2,1H3.
What are the key properties of 1-amino-3-methoxycyclobutane-1-carbonitrile?
1-amino-3-methoxycyclobutane-1-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 106822374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).