ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine

C15H30N2O3 — CID 143202028

IUPACethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine
SMILESC/C=C/CCN1CCOCC1.C/C=C\C[N+](=O)[O-].CC
InChIInChI=1S/C9H17NO.C4H7NO2.C2H6/c1-2-3-4-5-10-6-8-11-9-7-10;1-2-3-4-5(6)7;1-2/h2-3H,4-9H2,1H3;2-3H,4H2,1H3;1-2H3/b3-2+;3-2-;
InChIKeyANHYDACRMXUAKY-OLIZGRGESA-N
MW286.42 g/mol
LogP3.15
Rot. Bonds5

About ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine

ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine (PubChem CID 143202028) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine.

Molecular Properties

Compound Nameethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine
PubChem CID143202028
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine
SMILESC/C=C/CCN1CCOCC1.C/C=C\C[N+](=O)[O-].CC
InChIInChI=1S/C9H17NO.C4H7NO2.C2H6/c1-2-3-4-5-10-6-8-11-9-7-10;1-2-3-4-5(6)7;1-2/h2-3H,4-9H2,1H3;2-3H,4H2,1H3;1-2H3/b3-2+;3-2-;
InChIKeyANHYDACRMXUAKY-OLIZGRGESA-N
XLogP3.15
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-pent-3-enyl]morpholine
CID 142132381
4-(2-nitroethyl)morpholine
CID 66731033
4-[(E)-but-2-enyl]morpholine
CID 10909666
2-morpholin-4-ylethyl (Z)-hept-5-enoate
CID 143867024
methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane
CID 123315622
ethane;4-propylmorpholine
CID 143004992
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
CID 23852668
ethane;N-methyl-7-morpholin-4-ylheptanamide
CID 176680362
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
4-[(2S)-2-nitrobutyl]morpholine
CID 76964371
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine?
The IUPAC name of ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine (CID 143202028) is ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine.
What is the SMILES notation for ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine?
The canonical SMILES for ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine is C/C=C/CCN1CCOCC1.C/C=C\C[N+](=O)[O-].CC.
What is the InChIKey of ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine?
The InChIKey is ANHYDACRMXUAKY-OLIZGRGESA-N. The full InChI is InChI=1S/C9H17NO.C4H7NO2.C2H6/c1-2-3-4-5-10-6-8-11-9-7-10;1-2-3-4-5(6)7;1-2/h2-3H,4-9H2,1H3;2-3H,4H2,1H3;1-2H3/b3-2+;3-2-;.
What are the key properties of ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine?
ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine has a molecular weight of 286.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine is sourced from PubChem (CID 143202028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).