(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine

C15H19NS — CID 142177843

IUPAC(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine
SMILESC=C/N=C/C(=CC1C=CSC1C)/C(C=C)=C\C
InChIInChI=1S/C15H19NS/c1-5-13(6-2)15(11-16-7-3)10-14-8-9-17-12(14)4/h5-12,14H,1,3H2,2,4H3/b13-6-,15-10-,16-11+
InChIKeyMVQTYQOYDFWIOK-DDLYTFIZSA-N
MW245.39 g/mol
LogP4.52
Rot. Bonds5

About (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine

(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine (PubChem CID 142177843) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine.

Molecular Properties

Compound Name(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine
PubChem CID142177843
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine
SMILESC=C/N=C/C(=CC1C=CSC1C)/C(C=C)=C\C
InChIInChI=1S/C15H19NS/c1-5-13(6-2)15(11-16-7-3)10-14-8-9-17-12(14)4/h5-12,14H,1,3H2,2,4H3/b13-6-,15-10-,16-11+
InChIKeyMVQTYQOYDFWIOK-DDLYTFIZSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine 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

5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
(1E,3E)-N,N,2-trimethyl-4-(2-methyl-2,3-dihydrothiophen-5-yl)-5-prop-2-enyliminopenta-1,3-dien-1-amine
CID 134417320
6-Propan-2-yl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722175
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine;ethane
CID 142177842
ethane;N-ethenyl-1-(6-ethenyl-3a,7a-dihydro-1-benzothiophen-5-yl)methanimine
CID 142177844
ethane;[(1E,3E,4Z)-3-ethylidenehepta-1,4-dienyl] N,5-dimethyl-4H-azepine-6-carboximidothioate
CID 142225858
ethane;ethene;4-methyl-3,4-dihydropyridine;(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226073
6-(1-ethenylsulfanylethenyl)-4H-azepine
CID 143076341
5,5-Dimethylthieno[2,3-c]azepine;ethane
CID 143335457
(4E,5Z)-2-ethenylsulfanyl-N-[(Z)-3-methylbut-1-enyl]-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 146176633

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine?
The IUPAC name of (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine (CID 142177843) is (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine.
What is the SMILES notation for (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine?
The canonical SMILES for (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine is C=C/N=C/C(=CC1C=CSC1C)/C(C=C)=C\C.
What is the InChIKey of (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine?
The InChIKey is MVQTYQOYDFWIOK-DDLYTFIZSA-N. The full InChI is InChI=1S/C15H19NS/c1-5-13(6-2)15(11-16-7-3)10-14-8-9-17-12(14)4/h5-12,14H,1,3H2,2,4H3/b13-6-,15-10-,16-11+.
What are the key properties of (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine?
(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine has a molecular weight of 245.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine is sourced from PubChem (CID 142177843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).