1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile

C10H16N2 — CID 131215800

IUPAC1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCC1CN(CC2(C#N)CC2)C1C
InChIInChI=1S/C10H16N2/c1-8-5-12(9(8)2)7-10(6-11)3-4-10/h8-9H,3-5,7H2,1-2H3
InChIKeyMMPLPGCWAKTKKS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.63
Rot. Bonds2

About 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile

1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 131215800) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID131215800
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESCC1CN(CC2(C#N)CC2)C1C
InChIInChI=1S/C10H16N2/c1-8-5-12(9(8)2)7-10(6-11)3-4-10/h8-9H,3-5,7H2,1-2H3
InChIKeyMMPLPGCWAKTKKS-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile (CID 131215800) is 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile is CC1CN(CC2(C#N)CC2)C1C.
What is the InChIKey of 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is MMPLPGCWAKTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-5-12(9(8)2)7-10(6-11)3-4-10/h8-9H,3-5,7H2,1-2H3.
What are the key properties of 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile?
1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylazetidin-1-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 131215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).