3-(1-aminopropyl)oxetane-3-carbonitrile

C7H12N2O — CID 116944431

IUPAC3-(1-aminopropyl)oxetane-3-carbonitrile
SMILESCCC(N)C1(C#N)COC1
InChIInChI=1S/C7H12N2O/c1-2-6(9)7(3-8)4-10-5-7/h6H,2,4-5,9H2,1H3
InChIKeyNYUAIZQXWBFHJW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.26
Rot. Bonds2

About 3-(1-aminopropyl)oxetane-3-carbonitrile

3-(1-aminopropyl)oxetane-3-carbonitrile (PubChem CID 116944431) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(1-aminopropyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(1-aminopropyl)oxetane-3-carbonitrile
PubChem CID116944431
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(1-aminopropyl)oxetane-3-carbonitrile
SMILESCCC(N)C1(C#N)COC1
InChIInChI=1S/C7H12N2O/c1-2-6(9)7(3-8)4-10-5-7/h6H,2,4-5,9H2,1H3
InChIKeyNYUAIZQXWBFHJW-UHFFFAOYSA-N
XLogP0.26
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)oxetane-3-carbonitrile?
The IUPAC name of 3-(1-aminopropyl)oxetane-3-carbonitrile (CID 116944431) is 3-(1-aminopropyl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(1-aminopropyl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(1-aminopropyl)oxetane-3-carbonitrile is CCC(N)C1(C#N)COC1.
What is the InChIKey of 3-(1-aminopropyl)oxetane-3-carbonitrile?
The InChIKey is NYUAIZQXWBFHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-6(9)7(3-8)4-10-5-7/h6H,2,4-5,9H2,1H3.
What are the key properties of 3-(1-aminopropyl)oxetane-3-carbonitrile?
3-(1-aminopropyl)oxetane-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)oxetane-3-carbonitrile is sourced from PubChem (CID 116944431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).