1-(hydrazinecarbonyl)perylene-2-carboxylic acid

C22H14N2O3 — CID 87405110

IUPAC1-(hydrazinecarbonyl)perylene-2-carboxylic acid
SMILESNNC(=O)c1c(C(=O)O)cc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C22H14N2O3/c23-24-21(25)20-16(22(26)27)10-12-6-3-8-14-13-7-1-4-11-5-2-9-15(17(11)13)19(20)18(12)14/h1-10H,23H2,(H,24,25)(H,26,27)
InChIKeyFEHFDAOJWWMTSW-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.04
Rot. Bonds2

About 1-(hydrazinecarbonyl)perylene-2-carboxylic acid

1-(hydrazinecarbonyl)perylene-2-carboxylic acid (PubChem CID 87405110) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-(hydrazinecarbonyl)perylene-2-carboxylic acid.

Molecular Properties

Compound Name1-(hydrazinecarbonyl)perylene-2-carboxylic acid
PubChem CID87405110
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name1-(hydrazinecarbonyl)perylene-2-carboxylic acid
SMILESNNC(=O)c1c(C(=O)O)cc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C22H14N2O3/c23-24-21(25)20-16(22(26)27)10-12-6-3-8-14-13-7-1-4-11-5-2-9-15(17(11)13)19(20)18(12)14/h1-10H,23H2,(H,24,25)(H,26,27)
InChIKeyFEHFDAOJWWMTSW-UHFFFAOYSA-N
XLogP4.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hydrazinecarbonyl)perylene-2-carboxylic acid?
The IUPAC name of 1-(hydrazinecarbonyl)perylene-2-carboxylic acid (CID 87405110) is 1-(hydrazinecarbonyl)perylene-2-carboxylic acid.
What is the SMILES notation for 1-(hydrazinecarbonyl)perylene-2-carboxylic acid?
The canonical SMILES for 1-(hydrazinecarbonyl)perylene-2-carboxylic acid is NNC(=O)c1c(C(=O)O)cc2cccc3c4cccc5cccc(c1c23)c54.
What is the InChIKey of 1-(hydrazinecarbonyl)perylene-2-carboxylic acid?
The InChIKey is FEHFDAOJWWMTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c23-24-21(25)20-16(22(26)27)10-12-6-3-8-14-13-7-1-4-11-5-2-9-15(17(11)13)19(20)18(12)14/h1-10H,23H2,(H,24,25)(H,26,27).
What are the key properties of 1-(hydrazinecarbonyl)perylene-2-carboxylic acid?
1-(hydrazinecarbonyl)perylene-2-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydrazinecarbonyl)perylene-2-carboxylic acid is sourced from PubChem (CID 87405110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).