hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid

C22H23NO4 — CID 161480372

IUPAChept-2-ene;1-iminofluorene-2,3-dicarboxylic acid
SMILESCC=CCCCC.[H]/N=C1\C2=Cc3ccccc3C2=CC(C(=O)O)=C1C(=O)O
InChIInChI=1S/C15H9NO4.C7H14/c16-13-10-5-7-3-1-2-4-8(7)9(10)6-11(14(17)18)12(13)15(19)20;1-3-5-7-6-4-2/h1-6,16H,(H,17,18)(H,19,20);3,5H,4,6-7H2,1-2H3/b16-13+;
InChIKeyWEGVSHYWGAJUSB-ZUQRMPMESA-N
MW365.43 g/mol
LogP4.72
Rot. Bonds5

About hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid

hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid (PubChem CID 161480372) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid.

Molecular Properties

Compound Namehept-2-ene;1-iminofluorene-2,3-dicarboxylic acid
PubChem CID161480372
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namehept-2-ene;1-iminofluorene-2,3-dicarboxylic acid
SMILESCC=CCCCC.[H]/N=C1\C2=Cc3ccccc3C2=CC(C(=O)O)=C1C(=O)O
InChIInChI=1S/C15H9NO4.C7H14/c16-13-10-5-7-3-1-2-4-8(7)9(10)6-11(14(17)18)12(13)15(19)20;1-3-5-7-6-4-2/h1-6,16H,(H,17,18)(H,19,20);3,5H,4,6-7H2,1-2H3/b16-13+;
InChIKeyWEGVSHYWGAJUSB-ZUQRMPMESA-N
XLogP4.72
TPSA98.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 150409330
1-hex-4-enyl-4-phenylbenzene
CID 174423294
hept-2-ene;propyl hydrogen carbonate
CID 158833730
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CID 161443012
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CID 12963608
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CID 173295735

Frequently Asked Questions

What is the IUPAC name of hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid?
The IUPAC name of hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid (CID 161480372) is hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid.
What is the SMILES notation for hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid?
The canonical SMILES for hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid is CC=CCCCC.[H]/N=C1\C2=Cc3ccccc3C2=CC(C(=O)O)=C1C(=O)O.
What is the InChIKey of hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid?
The InChIKey is WEGVSHYWGAJUSB-ZUQRMPMESA-N. The full InChI is InChI=1S/C15H9NO4.C7H14/c16-13-10-5-7-3-1-2-4-8(7)9(10)6-11(14(17)18)12(13)15(19)20;1-3-5-7-6-4-2/h1-6,16H,(H,17,18)(H,19,20);3,5H,4,6-7H2,1-2H3/b16-13+;.
What are the key properties of hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid?
hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid is sourced from PubChem (CID 161480372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).