(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C14H19ClN2O3 — CID 102934476

IUPAC(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Cl)cn2C2CC2)CC(CO)O1
InChIInChI=1S/C14H19ClN2O3/c1-9-5-16(7-12(8-18)20-9)14(19)13-4-10(15)6-17(13)11-2-3-11/h4,6,9,11-12,18H,2-3,5,7-8H2,1H3
InChIKeyUPSQNVJDXSWYAC-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.70
Rot. Bonds3

About (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934476) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934476
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Cl)cn2C2CC2)CC(CO)O1
InChIInChI=1S/C14H19ClN2O3/c1-9-5-16(7-12(8-18)20-9)14(19)13-4-10(15)6-17(13)11-2-3-11/h4,6,9,11-12,18H,2-3,5,7-8H2,1H3
InChIKeyUPSQNVJDXSWYAC-UHFFFAOYSA-N
XLogP1.70
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934660
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
(4-chloro-1-cyclopropylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974801
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 43640269
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102976072
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(2-amino-6-chloro-4-pyridinyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936186

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934476) is (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2cc(Cl)cn2C2CC2)CC(CO)O1.
What is the InChIKey of (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is UPSQNVJDXSWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9-5-16(7-12(8-18)20-9)14(19)13-4-10(15)6-17(13)11-2-3-11/h4,6,9,11-12,18H,2-3,5,7-8H2,1H3.
What are the key properties of (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 298.77 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).