5-carbazol-9-yl-2-methylidenepentanoic acid

C18H17NO2 — CID 67001914

IUPAC5-carbazol-9-yl-2-methylidenepentanoic acid
SMILESC=C(CCCn1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C18H17NO2/c1-13(18(20)21)7-6-12-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)19/h2-5,8-11H,1,6-7,12H2,(H,20,21)
InChIKeyVETNPLABCVKNQT-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.22
Rot. Bonds5

About 5-carbazol-9-yl-2-methylidenepentanoic acid

5-carbazol-9-yl-2-methylidenepentanoic acid (PubChem CID 67001914) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-carbazol-9-yl-2-methylidenepentanoic acid
PubChem CID67001914
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-carbazol-9-yl-2-methylidenepentanoic acid
SMILESC=C(CCCn1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C18H17NO2/c1-13(18(20)21)7-6-12-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)19/h2-5,8-11H,1,6-7,12H2,(H,20,21)
InChIKeyVETNPLABCVKNQT-UHFFFAOYSA-N
XLogP4.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-methylidenepentanoic acid?
The IUPAC name of 5-carbazol-9-yl-2-methylidenepentanoic acid (CID 67001914) is 5-carbazol-9-yl-2-methylidenepentanoic acid.
What is the SMILES notation for 5-carbazol-9-yl-2-methylidenepentanoic acid?
The canonical SMILES for 5-carbazol-9-yl-2-methylidenepentanoic acid is C=C(CCCn1c2ccccc2c2ccccc21)C(=O)O.
What is the InChIKey of 5-carbazol-9-yl-2-methylidenepentanoic acid?
The InChIKey is VETNPLABCVKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(18(20)21)7-6-12-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)19/h2-5,8-11H,1,6-7,12H2,(H,20,21).
What are the key properties of 5-carbazol-9-yl-2-methylidenepentanoic acid?
5-carbazol-9-yl-2-methylidenepentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-methylidenepentanoic acid is sourced from PubChem (CID 67001914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).