1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one

C16H26N2O2 — CID 79108030

IUPAC1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1ccn(CC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-16(19)14-6-7-17(10-14)11-15-12-18(13(2)3)8-9-20-15/h6-7,10,13,15H,4-5,8-9,11-12H2,1-3H3
InChIKeyARMQYBUNCRKXJH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds6

About 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one

1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one (PubChem CID 79108030) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
PubChem CID79108030
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1ccn(CC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-16(19)14-6-7-17(10-14)11-15-12-18(13(2)3)8-9-20-15/h6-7,10,13,15H,4-5,8-9,11-12H2,1-3H3
InChIKeyARMQYBUNCRKXJH-UHFFFAOYSA-N
XLogP2.58
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79183064
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]butan-1-one
CID 79109205
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
CID 79182022
N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108697
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
4-propan-2-yl-2-propylmorpholine
CID 118118152
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
1-[(4-propan-2-ylmorpholin-2-yl)methyl]imidazole-4-sulfonyl chloride
CID 82913357

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
The IUPAC name of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one (CID 79108030) is 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
The canonical SMILES for 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one is CCCC(=O)c1ccn(CC2CN(C(C)C)CCO2)c1.
What is the InChIKey of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
The InChIKey is ARMQYBUNCRKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-16(19)14-6-7-17(10-14)11-15-12-18(13(2)3)8-9-20-15/h6-7,10,13,15H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one?
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one has a molecular weight of 278.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one is sourced from PubChem (CID 79108030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).