(2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine

C21H24FN — CID 89298077

IUPAC(2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine
SMILESC=CC(=C)C(/C=C/C=C(/F)C=C)=C1/C=CCC/C1=N\CC1CC1
InChIInChI=1S/C21H24FN/c1-4-16(3)19(11-8-9-18(22)5-2)20-10-6-7-12-21(20)23-15-17-13-14-17/h4-6,8-11,17H,1-3,7,12-15H2/b11-8+,18-9+,20-19-,23-21+
InChIKeyOLJFEALJDYFRRY-CQHYWFPESA-N
MW309.43 g/mol
LogP5.82
Rot. Bonds7

About (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine

(2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine (PubChem CID 89298077) has the molecular formula C21H24FN and a molecular weight of 309.43 g/mol. Its IUPAC name is (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine.

Molecular Properties

Compound Name(2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine
PubChem CID89298077
Molecular FormulaC21H24FN
Molecular Weight309.43 g/mol
Exact Mass309.19
IUPAC Name(2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine
SMILESC=CC(=C)C(/C=C/C=C(/F)C=C)=C1/C=CCC/C1=N\CC1CC1
InChIInChI=1S/C21H24FN/c1-4-16(3)19(11-8-9-18(22)5-2)20-10-6-7-12-21(20)23-15-17-13-14-17/h4-6,8-11,17H,1-3,7,12-15H2/b11-8+,18-9+,20-19-,23-21+
InChIKeyOLJFEALJDYFRRY-CQHYWFPESA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 55.82
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine?
The IUPAC name of (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine (CID 89298077) is (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine.
What is the SMILES notation for (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine?
The canonical SMILES for (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine is C=CC(=C)C(/C=C/C=C(/F)C=C)=C1/C=CCC/C1=N\CC1CC1.
What is the InChIKey of (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine?
The InChIKey is OLJFEALJDYFRRY-CQHYWFPESA-N. The full InChI is InChI=1S/C21H24FN/c1-4-16(3)19(11-8-9-18(22)5-2)20-10-6-7-12-21(20)23-15-17-13-14-17/h4-6,8-11,17H,1-3,7,12-15H2/b11-8+,18-9+,20-19-,23-21+.
What are the key properties of (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine?
(2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine has a molecular weight of 309.43 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(cyclopropylmethyl)-2-[(5E,7E)-8-fluoro-3-methylidenedeca-1,5,7,9-tetraen-4-ylidene]cyclohex-3-en-1-imine is sourced from PubChem (CID 89298077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).