2-(2-propylmorpholin-4-yl)acetonitrile

C9H16N2O — CID 130694336

IUPAC2-(2-propylmorpholin-4-yl)acetonitrile
SMILESCCCC1CN(CC#N)CCO1
InChIInChI=1S/C9H16N2O/c1-2-3-9-8-11(5-4-10)6-7-12-9/h9H,2-3,5-8H2,1H3
InChIKeyRSNOWEXZXIHGRK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-propylmorpholin-4-yl)acetonitrile

2-(2-propylmorpholin-4-yl)acetonitrile (PubChem CID 130694336) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-propylmorpholin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-propylmorpholin-4-yl)acetonitrile
PubChem CID130694336
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(2-propylmorpholin-4-yl)acetonitrile
SMILESCCCC1CN(CC#N)CCO1
InChIInChI=1S/C9H16N2O/c1-2-3-9-8-11(5-4-10)6-7-12-9/h9H,2-3,5-8H2,1H3
InChIKeyRSNOWEXZXIHGRK-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-propylmorpholine
CID 127673597
2-propylmorpholine-4-carbonitrile
CID 175059333
N-methyl-1-(2-propylmorpholin-4-yl)methanamine
CID 167045533
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
2-(2-cyclopropylmorpholin-4-yl)acetonitrile
CID 126990253
2-[(3R)-4-(cyanomethyl)-3-propylpiperazin-1-yl]acetonitrile
CID 96535727
4-propan-2-yl-2-propylmorpholine
CID 118118152
N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
CID 138728331
(2S)-2-butyl-4-decylmorpholine
CID 98152093
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
4-(cyanomethyl)morpholine-2-carboxamide
CID 130674301

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylmorpholin-4-yl)acetonitrile?
The IUPAC name of 2-(2-propylmorpholin-4-yl)acetonitrile (CID 130694336) is 2-(2-propylmorpholin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-propylmorpholin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-propylmorpholin-4-yl)acetonitrile is CCCC1CN(CC#N)CCO1.
What is the InChIKey of 2-(2-propylmorpholin-4-yl)acetonitrile?
The InChIKey is RSNOWEXZXIHGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-9-8-11(5-4-10)6-7-12-9/h9H,2-3,5-8H2,1H3.
What are the key properties of 2-(2-propylmorpholin-4-yl)acetonitrile?
2-(2-propylmorpholin-4-yl)acetonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylmorpholin-4-yl)acetonitrile is sourced from PubChem (CID 130694336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).