1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile

C9H14N2O — CID 164645934

IUPAC1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCOC1CN(CC2(C#N)CC2)C1
InChIInChI=1S/C9H14N2O/c1-12-8-4-11(5-8)7-9(6-10)2-3-9/h8H,2-5,7H2,1H3
InChIKeyJDKCIIGRWCNCBC-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.62
Rot. Bonds3

About 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile

1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 164645934) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID164645934
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCOC1CN(CC2(C#N)CC2)C1
InChIInChI=1S/C9H14N2O/c1-12-8-4-11(5-8)7-9(6-10)2-3-9/h8H,2-5,7H2,1H3
InChIKeyJDKCIIGRWCNCBC-UHFFFAOYSA-N
XLogP0.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethyl-3-methylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 164645978
1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 131215800
1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 103534745
4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine
CID 130547518
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
CID 82505181
1-(3-methoxyazetidin-1-yl)propan-2-ol
CID 126973560
[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 103534951
1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile
CID 126539788
1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile
CID 164645967
1-(2-methoxyethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390369
1-amino-3-methoxycyclobutane-1-carbonitrile
CID 106822374

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile (CID 164645934) is 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile is COC1CN(CC2(C#N)CC2)C1.
What is the InChIKey of 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is JDKCIIGRWCNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-8-4-11(5-8)7-9(6-10)2-3-9/h8H,2-5,7H2,1H3.
What are the key properties of 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 166.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyazetidin-1-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164645934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).