morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone

C13H21NO3 — CID 46188987

IUPACmorpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone
SMILESC=CCCCO[C@H]1C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H21NO3/c1-2-3-4-7-17-12-10-11(12)13(15)14-5-8-16-9-6-14/h2,11-12H,1,3-10H2/t11-,12-/m0/s1
InChIKeyCOSCSPXJKCWBLY-RYUDHWBXSA-N
MW239.31 g/mol
LogP1.22
Rot. Bonds6

About morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone

morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone (PubChem CID 46188987) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone
PubChem CID46188987
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemorpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone
SMILESC=CCCCO[C@H]1C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H21NO3/c1-2-3-4-7-17-12-10-11(12)13(15)14-5-8-16-9-6-14/h2,11-12H,1,3-10H2/t11-,12-/m0/s1
InChIKeyCOSCSPXJKCWBLY-RYUDHWBXSA-N
XLogP1.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone?
The IUPAC name of morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone (CID 46188987) is morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone.
What is the SMILES notation for morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone?
The canonical SMILES for morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone is C=CCCCO[C@H]1C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone?
The InChIKey is COSCSPXJKCWBLY-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-4-7-17-12-10-11(12)13(15)14-5-8-16-9-6-14/h2,11-12H,1,3-10H2/t11-,12-/m0/s1.
What are the key properties of morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone?
morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone has a molecular weight of 239.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(1S,2S)-2-pent-4-enoxycyclopropyl]methanone is sourced from PubChem (CID 46188987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).