1-chloropropane;morpholine-4-carbaldehyde

C8H16ClNO2 — CID 165401429

IUPAC1-chloropropane;morpholine-4-carbaldehyde
SMILESCCCCl.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.C3H7Cl/c7-5-6-1-3-8-4-2-6;1-2-3-4/h5H,1-4H2;2-3H2,1H3
InChIKeyZLKCIGITNMHVOY-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.11
Rot. Bonds2

About 1-chloropropane;morpholine-4-carbaldehyde

1-chloropropane;morpholine-4-carbaldehyde (PubChem CID 165401429) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 1-chloropropane;morpholine-4-carbaldehyde.

Molecular Properties

Compound Name1-chloropropane;morpholine-4-carbaldehyde
PubChem CID165401429
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name1-chloropropane;morpholine-4-carbaldehyde
SMILESCCCCl.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.C3H7Cl/c7-5-6-1-3-8-4-2-6;1-2-3-4/h5H,1-4H2;2-3H2,1H3
InChIKeyZLKCIGITNMHVOY-UHFFFAOYSA-N
XLogP1.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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morpholine-4-carbaldehyde;perchloric acid
CID 12512320
ethane;morpholine-4-carbaldehyde;1,3-xylene
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CID 142506557
ethane;piperidine-1-carbaldehyde;propane
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4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423
2-(morpholin-4-ylmethyl)pentanal
CID 143181502
1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde
CID 143736832
4-ethylmorpholine;formic acid
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4-(oxan-4-yl)piperidine-1-carbaldehyde
CID 143294337
butan-1-ol;pyrrolidine-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;morpholine-4-carbaldehyde?
The IUPAC name of 1-chloropropane;morpholine-4-carbaldehyde (CID 165401429) is 1-chloropropane;morpholine-4-carbaldehyde.
What is the SMILES notation for 1-chloropropane;morpholine-4-carbaldehyde?
The canonical SMILES for 1-chloropropane;morpholine-4-carbaldehyde is CCCCl.O=CN1CCOCC1.
What is the InChIKey of 1-chloropropane;morpholine-4-carbaldehyde?
The InChIKey is ZLKCIGITNMHVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C3H7Cl/c7-5-6-1-3-8-4-2-6;1-2-3-4/h5H,1-4H2;2-3H2,1H3.
What are the key properties of 1-chloropropane;morpholine-4-carbaldehyde?
1-chloropropane;morpholine-4-carbaldehyde has a molecular weight of 193.67 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;morpholine-4-carbaldehyde is sourced from PubChem (CID 165401429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).