morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone

C19H28N2O4 — CID 95877300

IUPACmorpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone
SMILESC=CCC[C@@H](CN1CCCC1)Oc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C19H28N2O4/c1-2-3-6-16(15-20-9-4-5-10-20)24-18-8-7-17(25-18)19(22)21-11-13-23-14-12-21/h2,7-8,16H,1,3-6,9-15H2/t16-/m0/s1
InChIKeyRTVIUJFSVXFKOF-INIZCTEOSA-N
MW348.44 g/mol
LogP2.56
Rot. Bonds8

About morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone

morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone (PubChem CID 95877300) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone
PubChem CID95877300
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemorpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone
SMILESC=CCC[C@@H](CN1CCCC1)Oc1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C19H28N2O4/c1-2-3-6-16(15-20-9-4-5-10-20)24-18-8-7-17(25-18)19(22)21-11-13-23-14-12-21/h2,7-8,16H,1,3-6,9-15H2/t16-/m0/s1
InChIKeyRTVIUJFSVXFKOF-INIZCTEOSA-N
XLogP2.56
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone (CID 95877300) is morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone is C=CCC[C@@H](CN1CCCC1)Oc1ccc(C(=O)N2CCOCC2)o1.
What is the InChIKey of morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone?
The InChIKey is RTVIUJFSVXFKOF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-3-6-16(15-20-9-4-5-10-20)24-18-8-7-17(25-18)19(22)21-11-13-23-14-12-21/h2,7-8,16H,1,3-6,9-15H2/t16-/m0/s1.
What are the key properties of morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone?
morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone has a molecular weight of 348.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone is sourced from PubChem (CID 95877300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).