ethane;3-morpholin-2-ylpropanal

C9H19NO2 — CID 142839724

IUPACethane;3-morpholin-2-ylpropanal
SMILESCC.O=CCCC1CNCCO1
InChIInChI=1S/C7H13NO2.C2H6/c9-4-1-2-7-6-8-3-5-10-7;1-2/h4,7-8H,1-3,5-6H2;1-2H3
InChIKeyRZZZLQRMIDLJEV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.98
Rot. Bonds3

About ethane;3-morpholin-2-ylpropanal

ethane;3-morpholin-2-ylpropanal (PubChem CID 142839724) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;3-morpholin-2-ylpropanal.

Molecular Properties

Compound Nameethane;3-morpholin-2-ylpropanal
PubChem CID142839724
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;3-morpholin-2-ylpropanal
SMILESCC.O=CCCC1CNCCO1
InChIInChI=1S/C7H13NO2.C2H6/c9-4-1-2-7-6-8-3-5-10-7;1-2/h4,7-8H,1-3,5-6H2;1-2H3
InChIKeyRZZZLQRMIDLJEV-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(E)-pent-3-enyl]morpholine
CID 130456713
N-ethylethanamine;2-propylmorpholine
CID 20504824
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-heptylmorpholine
CID 65122133
(2R)-2-dodecylmorpholine
CID 129384651
2-(6-bromohexyl)morpholine
CID 175195484
2-methyloxirane;2-propylmorpholine
CID 175557051
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644
2-hexadecylmorpholine;hydrobromide
CID 174842760
chloro-dimethyl-(3-morpholin-2-ylpropyl)silane
CID 174707575

Frequently Asked Questions

What is the IUPAC name of ethane;3-morpholin-2-ylpropanal?
The IUPAC name of ethane;3-morpholin-2-ylpropanal (CID 142839724) is ethane;3-morpholin-2-ylpropanal.
What is the SMILES notation for ethane;3-morpholin-2-ylpropanal?
The canonical SMILES for ethane;3-morpholin-2-ylpropanal is CC.O=CCCC1CNCCO1.
What is the InChIKey of ethane;3-morpholin-2-ylpropanal?
The InChIKey is RZZZLQRMIDLJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c9-4-1-2-7-6-8-3-5-10-7;1-2/h4,7-8H,1-3,5-6H2;1-2H3.
What are the key properties of ethane;3-morpholin-2-ylpropanal?
ethane;3-morpholin-2-ylpropanal has a molecular weight of 173.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-morpholin-2-ylpropanal is sourced from PubChem (CID 142839724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).