2-propylmorpholine-4-carbonyl chloride

C8H14ClNO2 — CID 141381731

IUPAC2-propylmorpholine-4-carbonyl chloride
SMILESCCCC1CN(C(=O)Cl)CCO1
InChIInChI=1S/C8H14ClNO2/c1-2-3-7-6-10(8(9)11)4-5-12-7/h7H,2-6H2,1H3
InChIKeyIBNRDAPKIXAHIS-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.85
Rot. Bonds2

About 2-propylmorpholine-4-carbonyl chloride

2-propylmorpholine-4-carbonyl chloride (PubChem CID 141381731) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-propylmorpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2-propylmorpholine-4-carbonyl chloride
PubChem CID141381731
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-propylmorpholine-4-carbonyl chloride
SMILESCCCC1CN(C(=O)Cl)CCO1
InChIInChI=1S/C8H14ClNO2/c1-2-3-7-6-10(8(9)11)4-5-12-7/h7H,2-6H2,1H3
InChIKeyIBNRDAPKIXAHIS-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-(2-propylmorpholin-4-yl)prop-2-yn-1-one
CID 131131858
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
2-tert-butylmorpholine-4-carbonyl chloride
CID 165491195
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
CID 99819343
(2S)-N-[(1S)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
CID 99819345
2-ethylmorpholine-4-carboxylic acid
CID 121455686
4-ethyl-2-propylmorpholine
CID 127673597
2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
CID 100654379

Frequently Asked Questions

What is the IUPAC name of 2-propylmorpholine-4-carbonyl chloride?
The IUPAC name of 2-propylmorpholine-4-carbonyl chloride (CID 141381731) is 2-propylmorpholine-4-carbonyl chloride.
What is the SMILES notation for 2-propylmorpholine-4-carbonyl chloride?
The canonical SMILES for 2-propylmorpholine-4-carbonyl chloride is CCCC1CN(C(=O)Cl)CCO1.
What is the InChIKey of 2-propylmorpholine-4-carbonyl chloride?
The InChIKey is IBNRDAPKIXAHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-2-3-7-6-10(8(9)11)4-5-12-7/h7H,2-6H2,1H3.
What are the key properties of 2-propylmorpholine-4-carbonyl chloride?
2-propylmorpholine-4-carbonyl chloride has a molecular weight of 191.66 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylmorpholine-4-carbonyl chloride is sourced from PubChem (CID 141381731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).