(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C13H17BrN2O3 — CID 81203683

IUPAC(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Br)cn1C1CC1)N1CCOC(CO)C1
InChIInChI=1S/C13H17BrN2O3/c14-9-5-12(16(6-9)10-1-2-10)13(18)15-3-4-19-11(7-15)8-17/h5-6,10-11,17H,1-4,7-8H2
InChIKeyKKEVCRLDYWCWPU-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.42
Rot. Bonds3

About (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81203683) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81203683
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(Br)cn1C1CC1)N1CCOC(CO)C1
InChIInChI=1S/C13H17BrN2O3/c14-9-5-12(16(6-9)10-1-2-10)13(18)15-3-4-19-11(7-15)8-17/h5-6,10-11,17H,1-4,7-8H2
InChIKeyKKEVCRLDYWCWPU-UHFFFAOYSA-N
XLogP1.42
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclopropyl-4-nitropyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81197740
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
2-[(2S)-4-(4-bromo-1-ethylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515313
2-[(2S)-4-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515439
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
[4-bromo-2-(trifluoromethyl)phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103925345
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81203683) is (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1cc(Br)cn1C1CC1)N1CCOC(CO)C1.
What is the InChIKey of (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is KKEVCRLDYWCWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-9-5-12(16(6-9)10-1-2-10)13(18)15-3-4-19-11(7-15)8-17/h5-6,10-11,17H,1-4,7-8H2.
What are the key properties of (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 329.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81203683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).