2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine

C13H18N2 — CID 89408535

IUPAC2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine
SMILESC=C/C=C\C(=C)C(=C)N1CCNC1C=C
InChIInChI=1S/C13H18N2/c1-5-7-8-11(3)12(4)15-10-9-14-13(15)6-2/h5-8,13-14H,1-4,9-10H2/b8-7-
InChIKeyKTGBBNUDZBLAGR-FPLPWBNLSA-N
MW202.30 g/mol
LogP2.22
Rot. Bonds5

About 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine

2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine (PubChem CID 89408535) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine.

Molecular Properties

Compound Name2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine
PubChem CID89408535
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine
SMILESC=C/C=C\C(=C)C(=C)N1CCNC1C=C
InChIInChI=1S/C13H18N2/c1-5-7-8-11(3)12(4)15-10-9-14-13(15)6-2/h5-8,13-14H,1-4,9-10H2/b8-7-
InChIKeyKTGBBNUDZBLAGR-FPLPWBNLSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine?
The IUPAC name of 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine (CID 89408535) is 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine.
What is the SMILES notation for 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine?
The canonical SMILES for 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine is C=C/C=C\C(=C)C(=C)N1CCNC1C=C.
What is the InChIKey of 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine?
The InChIKey is KTGBBNUDZBLAGR-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-7-8-11(3)12(4)15-10-9-14-13(15)6-2/h5-8,13-14H,1-4,9-10H2/b8-7-.
What are the key properties of 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine?
2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine has a molecular weight of 202.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]imidazolidine is sourced from PubChem (CID 89408535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).