4-(3-methoxypropyl)morpholine-2-carbonitrile

C9H16N2O2 — CID 112734096

IUPAC4-(3-methoxypropyl)morpholine-2-carbonitrile
SMILESCOCCCN1CCOC(C#N)C1
InChIInChI=1S/C9H16N2O2/c1-12-5-2-3-11-4-6-13-9(7-10)8-11/h9H,2-6,8H2,1H3
InChIKeyIKYGKURKOGNOJL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.25
Rot. Bonds4

About 4-(3-methoxypropyl)morpholine-2-carbonitrile

4-(3-methoxypropyl)morpholine-2-carbonitrile (PubChem CID 112734096) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(3-methoxypropyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxypropyl)morpholine-2-carbonitrile
PubChem CID112734096
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(3-methoxypropyl)morpholine-2-carbonitrile
SMILESCOCCCN1CCOC(C#N)C1
InChIInChI=1S/C9H16N2O2/c1-12-5-2-3-11-4-6-13-9(7-10)8-11/h9H,2-6,8H2,1H3
InChIKeyIKYGKURKOGNOJL-UHFFFAOYSA-N
XLogP0.25
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxyethoxy)ethyl]morpholine-2-carbonitrile
CID 79675052
4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
CID 104563060
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
CID 154661350
4-(3-methoxypropyl)-N-methylmorpholin-2-amine;hydrochloride
CID 175032974
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
CID 79674895
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-methoxypropyl)morpholine-2-carbonitrile (CID 112734096) is 4-(3-methoxypropyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-methoxypropyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-methoxypropyl)morpholine-2-carbonitrile is COCCCN1CCOC(C#N)C1.
What is the InChIKey of 4-(3-methoxypropyl)morpholine-2-carbonitrile?
The InChIKey is IKYGKURKOGNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-12-5-2-3-11-4-6-13-9(7-10)8-11/h9H,2-6,8H2,1H3.
What are the key properties of 4-(3-methoxypropyl)morpholine-2-carbonitrile?
4-(3-methoxypropyl)morpholine-2-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)morpholine-2-carbonitrile is sourced from PubChem (CID 112734096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).