3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid

C24H27NO2 — CID 23301332

IUPAC3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCC=C2c3ccccc3Cc3ccccc32)C1
InChIInChI=1S/C24H27NO2/c26-24(27)12-11-18-13-15-25(17-18)14-5-10-23-21-8-3-1-6-19(21)16-20-7-2-4-9-22(20)23/h1-4,6-10,18H,5,11-17H2,(H,26,27)
InChIKeyUVPVIVDBCNHPJY-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.60
Rot. Bonds6

About 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid

3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 23301332) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid
PubChem CID23301332
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCC=C2c3ccccc3Cc3ccccc32)C1
InChIInChI=1S/C24H27NO2/c26-24(27)12-11-18-13-15-25(17-18)14-5-10-23-21-8-3-1-6-19(21)16-20-7-2-4-9-22(20)23/h1-4,6-10,18H,5,11-17H2,(H,26,27)
InChIKeyUVPVIVDBCNHPJY-UHFFFAOYSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid (CID 23301332) is 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid is O=C(O)CCC1CCN(CCC=C2c3ccccc3Cc3ccccc32)C1.
What is the InChIKey of 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is UVPVIVDBCNHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c26-24(27)12-11-18-13-15-25(17-18)14-5-10-23-21-8-3-1-6-19(21)16-20-7-2-4-9-22(20)23/h1-4,6-10,18H,5,11-17H2,(H,26,27).
What are the key properties of 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 361.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(10H-anthracen-9-ylidene)propyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 23301332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).