4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine

C13H18N2O3S — CID 113291566

IUPAC4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine
SMILESCC(C)/C(=C/c1ccc(N2CCOCC2)s1)[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3S/c1-10(2)12(15(16)17)9-11-3-4-13(19-11)14-5-7-18-8-6-14/h3-4,9-10H,5-8H2,1-2H3/b12-9-
InChIKeyBMQMHNDLVCCYKQ-XFXZXTDPSA-N
MW282.37 g/mol
LogP2.86
Rot. Bonds4

About 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine

4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine (PubChem CID 113291566) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine
PubChem CID113291566
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine
SMILESCC(C)/C(=C/c1ccc(N2CCOCC2)s1)[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3S/c1-10(2)12(15(16)17)9-11-3-4-13(19-11)14-5-7-18-8-6-14/h3-4,9-10H,5-8H2,1-2H3/b12-9-
InChIKeyBMQMHNDLVCCYKQ-XFXZXTDPSA-N
XLogP2.86
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
2,3-dibromo-5-(3-methyl-2-nitrobut-1-enyl)thiophene
CID 102843694
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
CID 6282814
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 4147907
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
N,N-diethyl-2-[(2Z)-2-[(5-morpholin-4-ylthiophen-2-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 6145031
N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
CID 9352428
5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
CID 106836357
5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde
CID 103497726
2,4-dichloro-5-(3-methyl-2-nitrobut-1-enyl)-1,3-thiazole
CID 115347639
(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene
CID 27102282

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine?
The IUPAC name of 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine (CID 113291566) is 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine?
The canonical SMILES for 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine is CC(C)/C(=C/c1ccc(N2CCOCC2)s1)[N+](=O)[O-].
What is the InChIKey of 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine?
The InChIKey is BMQMHNDLVCCYKQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(2)12(15(16)17)9-11-3-4-13(19-11)14-5-7-18-8-6-14/h3-4,9-10H,5-8H2,1-2H3/b12-9-.
What are the key properties of 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine?
4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine has a molecular weight of 282.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-3-methyl-2-nitrobut-1-enyl]thiophen-2-yl]morpholine is sourced from PubChem (CID 113291566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).