ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine

C12H23NO — CID 145012043

IUPACethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
SMILESC/C=C\C(=C/C)C1COCCN1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-3-5-9(4-2)10-8-12-7-6-11-10;1-2/h3-5,10-11H,6-8H2,1-2H3;1-2H3/b5-3-,9-4+;
InChIKeyHDTJANQPIVSAQR-XNDFSMPPSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds2

About ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine

ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine (PubChem CID 145012043) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine.

Molecular Properties

Compound Nameethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
PubChem CID145012043
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
SMILESC/C=C\C(=C/C)C1COCCN1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-3-5-9(4-2)10-8-12-7-6-11-10;1-2/h3-5,10-11H,6-8H2,1-2H3;1-2H3/b5-3-,9-4+;
InChIKeyHDTJANQPIVSAQR-XNDFSMPPSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-[(2E,4Z)-hexa-2,4-dien-3-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

2-[(4-Fluorocyclohepta-1,3,6-trien-1-yl)methyl]-5-methylmorpholine
CID 91350994
(3S)-3-(4-fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 164019164
3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine
CID 166776101
Crotyl(3-isopropenyl-2-yl)morpholinium bromide
CID 129795383
(3E,5E)-3-ethenyl-6-fluoro-N-(2-methoxyethyl)hepta-3,5-dien-2-amine
CID 144147423
Morpholine, 5-(2,4-heptadienyl)-2-methyl-
CID 5375413
3-But-2-enylmorpholine
CID 54355890
(2S,5R)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213111
(2S,5R)-5-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213158
(5S)-5-methyl-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]morpholine
CID 68213159
(2S,5S)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213204
(2S)-1-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-2-amine
CID 68404359

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
The IUPAC name of ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine (CID 145012043) is ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine.
What is the SMILES notation for ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
The canonical SMILES for ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine is C/C=C\C(=C/C)C1COCCN1.CC.
What is the InChIKey of ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
The InChIKey is HDTJANQPIVSAQR-XNDFSMPPSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-3-5-9(4-2)10-8-12-7-6-11-10;1-2/h3-5,10-11H,6-8H2,1-2H3;1-2H3/b5-3-,9-4+;.
What are the key properties of ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine?
ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine has a molecular weight of 197.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine is sourced from PubChem (CID 145012043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).