2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone

C13H16BrNO3 — CID 99586170

IUPAC2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESC=C(Br)CN1CCOC[C@H]1CC(=O)c1ccco1
InChIInChI=1S/C13H16BrNO3/c1-10(14)8-15-4-6-17-9-11(15)7-12(16)13-3-2-5-18-13/h2-3,5,11H,1,4,6-9H2/t11-/m1/s1
InChIKeyWQZNLQPKIYGLLQ-LLVKDONJSA-N
MW314.18 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone

2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone (PubChem CID 99586170) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
PubChem CID99586170
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESC=C(Br)CN1CCOC[C@H]1CC(=O)c1ccco1
InChIInChI=1S/C13H16BrNO3/c1-10(14)8-15-4-6-17-9-11(15)7-12(16)13-3-2-5-18-13/h2-3,5,11H,1,4,6-9H2/t11-/m1/s1
InChIKeyWQZNLQPKIYGLLQ-LLVKDONJSA-N
XLogP2.46
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586330
1-(furan-2-yl)-2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)morpholin-3-yl]ethanone
CID 91661795
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
N-(2-fluorophenyl)-3-[3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]propanamide
CID 154750383
2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 86803552
2-[(3S)-4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586317
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
1-(furan-2-yl)-2-[4-[2-(3-nitrophenoxy)ethyl]morpholin-3-yl]ethanone
CID 71848604
4-(2-bromoprop-2-enyl)-3-ethylmorpholine
CID 130927364
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244048

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone (CID 99586170) is 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone is C=C(Br)CN1CCOC[C@H]1CC(=O)c1ccco1.
What is the InChIKey of 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
The InChIKey is WQZNLQPKIYGLLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-10(14)8-15-4-6-17-9-11(15)7-12(16)13-3-2-5-18-13/h2-3,5,11H,1,4,6-9H2/t11-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone has a molecular weight of 314.18 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 99586170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).