cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone

C14H20N2O2 — CID 79182022

IUPACcyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
SMILESCN1CCOC(Cn2ccc(C(=O)C3CC3)c2)C1
InChIInChI=1S/C14H20N2O2/c1-15-6-7-18-13(9-15)10-16-5-4-12(8-16)14(17)11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3
InChIKeyDXQTYLNSOHDKOO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds4

About cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79182022) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79182022
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namecyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
SMILESCN1CCOC(Cn2ccc(C(=O)C3CC3)c2)C1
InChIInChI=1S/C14H20N2O2/c1-15-6-7-18-13(9-15)10-16-5-4-12(8-16)14(17)11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3
InChIKeyDXQTYLNSOHDKOO-UHFFFAOYSA-N
XLogP1.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79183064
[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanol
CID 79182796
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
3-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-2,2-dimethylpropanoic acid
CID 79621771
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79183159
cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone
CID 103034917
1-(oxan-4-ylmethyl)pyrrole-3-carboxylic acid
CID 79104228
1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-amine
CID 165465345
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
2-[(4-methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208559

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone (CID 79182022) is cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone is CN1CCOC(Cn2ccc(C(=O)C3CC3)c2)C1.
What is the InChIKey of cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is DXQTYLNSOHDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-6-7-18-13(9-15)10-16-5-4-12(8-16)14(17)11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3.
What are the key properties of cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79182022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).