(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid

C17H14N2O2 — CID 99984654

IUPAC(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
SMILESN/N=C1\C[C@@H](C(=O)O)[C@H]2c3ccccc3-c3cccc1c32
InChIInChI=1S/C17H14N2O2/c18-19-14-8-13(17(20)21)16-10-5-2-1-4-9(10)11-6-3-7-12(14)15(11)16/h1-7,13,16H,8,18H2,(H,20,21)/b19-14+/t13-,16-/m1/s1
InChIKeyUJTAOKCPHZWBHD-YXJZSKQOSA-N
MW278.31 g/mol
LogP2.57
Rot. Bonds1

About (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid

(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid (PubChem CID 99984654) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
PubChem CID99984654
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
SMILESN/N=C1\C[C@@H](C(=O)O)[C@H]2c3ccccc3-c3cccc1c32
InChIInChI=1S/C17H14N2O2/c18-19-14-8-13(17(20)21)16-10-5-2-1-4-9(10)11-6-3-7-12(14)15(11)16/h1-7,13,16H,8,18H2,(H,20,21)/b19-14+/t13-,16-/m1/s1
InChIKeyUJTAOKCPHZWBHD-YXJZSKQOSA-N
XLogP2.57
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3E,10bR)-3-hydroxyimino-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 99984661
(1S,10bS)-3-oxo-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 97033627
1,2,3,10b-tetrahydrofluoranthene-1-carboxylate
CID 19738613
methyl (1R,3R,10bR)-3-hydroxy-1,2,3,10b-tetrahydrofluoranthene-1-carboxylate
CID 124845890
(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid
CID 18650368
1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one
CID 59943597
(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 144958529
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(2R,3R,5S,6R)-tricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3,5-dicarboxylic acid
CID 11876849
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203

Frequently Asked Questions

What is the IUPAC name of (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid?
The IUPAC name of (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid (CID 99984654) is (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid.
What is the SMILES notation for (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid?
The canonical SMILES for (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid is N/N=C1\C[C@@H](C(=O)O)[C@H]2c3ccccc3-c3cccc1c32.
What is the InChIKey of (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid?
The InChIKey is UJTAOKCPHZWBHD-YXJZSKQOSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-19-14-8-13(17(20)21)16-10-5-2-1-4-9(10)11-6-3-7-12(14)15(11)16/h1-7,13,16H,8,18H2,(H,20,21)/b19-14+/t13-,16-/m1/s1.
What are the key properties of (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid?
(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid is sourced from PubChem (CID 99984654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).