formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine

C12H24N2O3 — CID 169177347

IUPACformic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
SMILESCC(C)N1CCC(N2CCOCC2)C1.O=CO
InChIInChI=1S/C11H22N2O.CH2O2/c1-10(2)13-4-3-11(9-13)12-5-7-14-8-6-12;2-1-3/h10-11H,3-9H2,1-2H3;1H,(H,2,3)
InChIKeyKWQZSRVDLXFDMP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds2

About formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine

formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine (PubChem CID 169177347) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine.

Molecular Properties

Compound Nameformic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
PubChem CID169177347
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameformic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
SMILESCC(C)N1CCC(N2CCOCC2)C1.O=CO
InChIInChI=1S/C11H22N2O.CH2O2/c1-10(2)13-4-3-11(9-13)12-5-7-14-8-6-12;2-1-3/h10-11H,3-9H2,1-2H3;1H,(H,2,3)
InChIKeyKWQZSRVDLXFDMP-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
2-(3-morpholin-4-ylpyrrolidin-1-yl)propanamide
CID 63171230
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933

Frequently Asked Questions

What is the IUPAC name of formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine?
The IUPAC name of formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine (CID 169177347) is formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine.
What is the SMILES notation for formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine?
The canonical SMILES for formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine is CC(C)N1CCC(N2CCOCC2)C1.O=CO.
What is the InChIKey of formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine?
The InChIKey is KWQZSRVDLXFDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.CH2O2/c1-10(2)13-4-3-11(9-13)12-5-7-14-8-6-12;2-1-3/h10-11H,3-9H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine?
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine has a molecular weight of 244.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine is sourced from PubChem (CID 169177347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).