2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile

C9H15N3O — CID 134330793

IUPAC2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile
SMILESN#CCC1(N2CCOCC2)CNC1
InChIInChI=1S/C9H15N3O/c10-2-1-9(7-11-8-9)12-3-5-13-6-4-12/h11H,1,3-8H2
InChIKeyJSCULRNUEWVHDV-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.43
Rot. Bonds2

About 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile

2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile (PubChem CID 134330793) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile
PubChem CID134330793
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile
SMILESN#CCC1(N2CCOCC2)CNC1
InChIInChI=1S/C9H15N3O/c10-2-1-9(7-11-8-9)12-3-5-13-6-4-12/h11H,1,3-8H2
InChIKeyJSCULRNUEWVHDV-UHFFFAOYSA-N
XLogP-0.43
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile;2,2,2-trifluoroacetic acid
CID 175542488
2-[3-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 118292326
3-morpholin-4-ylpiperidine-3-carbonitrile
CID 79308459
6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 72742222
4-[1-(2-methylpropyl)cyclopropyl]morpholine
CID 170001181
(3-pyrrolidin-1-ylazetidin-3-yl)methanamine
CID 105430429
2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
CID 172915698
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
CID 130555203
2-[1-(morpholine-4-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 149075238
2-(morpholin-4-ylamino)acetonitrile;hydrochloride
CID 10154291
8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802976

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile?
The IUPAC name of 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile (CID 134330793) is 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile?
The canonical SMILES for 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile is N#CCC1(N2CCOCC2)CNC1.
What is the InChIKey of 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile?
The InChIKey is JSCULRNUEWVHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-2-1-9(7-11-8-9)12-3-5-13-6-4-12/h11H,1,3-8H2.
What are the key properties of 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile?
2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile has a molecular weight of 181.24 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylazetidin-3-yl)acetonitrile is sourced from PubChem (CID 134330793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).