[(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate

C25H28N2O2 — CID 156517137

IUPAC[(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate
SMILESC=CC(C)C1(C(C)C=C)c2cc(N)ccc2-c2ccc(/C(C)=N\OC(C)=O)cc21
InChIInChI=1S/C25H28N2O2/c1-7-15(3)25(16(4)8-2)23-13-19(17(5)27-29-18(6)28)9-11-21(23)22-12-10-20(26)14-24(22)25/h7-16H,1-2,26H2,3-6H3/b27-17-
InChIKeyWZYNUQOTTKXSEQ-PKAZHMFMSA-N
MW388.51 g/mol
LogP5.47
Rot. Bonds6

About [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate

[(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate (PubChem CID 156517137) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate
PubChem CID156517137
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate
SMILESC=CC(C)C1(C(C)C=C)c2cc(N)ccc2-c2ccc(/C(C)=N\OC(C)=O)cc21
InChIInChI=1S/C25H28N2O2/c1-7-15(3)25(16(4)8-2)23-13-19(17(5)27-29-18(6)28)9-11-21(23)22-12-10-20(26)14-24(22)25/h7-16H,1-2,26H2,3-6H3/b27-17-
InChIKeyWZYNUQOTTKXSEQ-PKAZHMFMSA-N
XLogP5.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate?
The IUPAC name of [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate (CID 156517137) is [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate.
What is the SMILES notation for [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate?
The canonical SMILES for [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate is C=CC(C)C1(C(C)C=C)c2cc(N)ccc2-c2ccc(/C(C)=N\OC(C)=O)cc21.
What is the InChIKey of [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate?
The InChIKey is WZYNUQOTTKXSEQ-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-7-15(3)25(16(4)8-2)23-13-19(17(5)27-29-18(6)28)9-11-21(23)22-12-10-20(26)14-24(22)25/h7-16H,1-2,26H2,3-6H3/b27-17-.
What are the key properties of [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate?
[(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate has a molecular weight of 388.51 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[7-amino-9,9-bis(but-3-en-2-yl)fluoren-2-yl]ethylideneamino] acetate is sourced from PubChem (CID 156517137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).