(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone

C14H18BrNO4 — CID 100674768

IUPAC(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccoc1Br)N1CCO[C@@H](COCC2CC2)C1
InChIInChI=1S/C14H18BrNO4/c15-13-12(3-5-20-13)14(17)16-4-6-19-11(7-16)9-18-8-10-1-2-10/h3,5,10-11H,1-2,4,6-9H2/t11-/m1/s1
InChIKeySFFMLECZWSFQJF-LLVKDONJSA-N
MW344.21 g/mol
LogP2.31
Rot. Bonds5

About (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone

(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone (PubChem CID 100674768) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone
PubChem CID100674768
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccoc1Br)N1CCO[C@@H](COCC2CC2)C1
InChIInChI=1S/C14H18BrNO4/c15-13-12(3-5-20-13)14(17)16-4-6-19-11(7-16)9-18-8-10-1-2-10/h3,5,10-11H,1-2,4,6-9H2/t11-/m1/s1
InChIKeySFFMLECZWSFQJF-LLVKDONJSA-N
XLogP2.31
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-thieno[2,3-c]pyridin-7-ylmethanone
CID 126822406
5-[2-(cyclopropylmethoxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127935355
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594
1-[2-(cyclopropylmethoxymethyl)morpholin-4-yl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 138035087
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 106688583

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone (CID 100674768) is (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone is O=C(c1ccoc1Br)N1CCO[C@@H](COCC2CC2)C1.
What is the InChIKey of (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone?
The InChIKey is SFFMLECZWSFQJF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18BrNO4/c15-13-12(3-5-20-13)14(17)16-4-6-19-11(7-16)9-18-8-10-1-2-10/h3,5,10-11H,1-2,4,6-9H2/t11-/m1/s1.
What are the key properties of (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone?
(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone has a molecular weight of 344.21 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 100674768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).