(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine

C15H20FN — CID 166976500

IUPAC(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
SMILESC=C(/C=C/CC1CC1)/C(F)=C(C)\N=C\C=C\C
InChIInChI=1S/C15H20FN/c1-4-5-11-17-13(3)15(16)12(2)7-6-8-14-9-10-14/h4-7,11,14H,2,8-10H2,1,3H3/b5-4+,7-6+,15-13+,17-11+
InChIKeyJPWWXWUUNXYWKX-FMOKBYFHSA-N
MW233.33 g/mol
LogP4.75
Rot. Bonds6

About (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine

(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine (PubChem CID 166976500) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
PubChem CID166976500
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
SMILESC=C(/C=C/CC1CC1)/C(F)=C(C)\N=C\C=C\C
InChIInChI=1S/C15H20FN/c1-4-5-11-17-13(3)15(16)12(2)7-6-8-14-9-10-14/h4-7,11,14H,2,8-10H2,1,3H3/b5-4+,7-6+,15-13+,17-11+
InChIKeyJPWWXWUUNXYWKX-FMOKBYFHSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-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

N-[(3E)-1-cyclopropyl-4-fluoro-5-methylhexa-3,5-dien-3-yl]ethanimine
CID 132240241
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
N-[(E)-1-fluoro-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]prop-2-en-1-imine
CID 176962117
(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine
CID 162565662
(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
CID 58763085
(2E)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-3,4-dimethyl-3H-pyridine
CID 117904067

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine (CID 166976500) is (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine is C=C(/C=C/CC1CC1)/C(F)=C(C)\N=C\C=C\C.
What is the InChIKey of (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine?
The InChIKey is JPWWXWUUNXYWKX-FMOKBYFHSA-N. The full InChI is InChI=1S/C15H20FN/c1-4-5-11-17-13(3)15(16)12(2)7-6-8-14-9-10-14/h4-7,11,14H,2,8-10H2,1,3H3/b5-4+,7-6+,15-13+,17-11+.
What are the key properties of (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine?
(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine has a molecular weight of 233.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 166976500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).