1H-azepine;9H-fluorene-2-carboxylic acid

C20H17NO2 — CID 174434519

IUPAC1H-azepine;9H-fluorene-2-carboxylic acid
SMILESC1=CC=CNC=C1.O=C(O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H10O2.C6H7N/c15-14(16)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13;1-2-4-6-7-5-3-1/h1-6,8H,7H2,(H,15,16);1-7H
InChIKeyKYPMOVXVBHGBOA-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.13
Rot. Bonds1

About 1H-azepine;9H-fluorene-2-carboxylic acid

1H-azepine;9H-fluorene-2-carboxylic acid (PubChem CID 174434519) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1H-azepine;9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name1H-azepine;9H-fluorene-2-carboxylic acid
PubChem CID174434519
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1H-azepine;9H-fluorene-2-carboxylic acid
SMILESC1=CC=CNC=C1.O=C(O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H10O2.C6H7N/c15-14(16)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13;1-2-4-6-7-5-3-1/h1-6,8H,7H2,(H,15,16);1-7H
InChIKeyKYPMOVXVBHGBOA-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
CID 176718188
2-[C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
CID 54717349
2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
CID 54710511
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid
CID 101463764
N-cyclopentyl-9H-fluorene-2-carboxamide
CID 39896867
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
CID 19088523

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;9H-fluorene-2-carboxylic acid?
The IUPAC name of 1H-azepine;9H-fluorene-2-carboxylic acid (CID 174434519) is 1H-azepine;9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 1H-azepine;9H-fluorene-2-carboxylic acid?
The canonical SMILES for 1H-azepine;9H-fluorene-2-carboxylic acid is C1=CC=CNC=C1.O=C(O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1H-azepine;9H-fluorene-2-carboxylic acid?
The InChIKey is KYPMOVXVBHGBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.C6H7N/c15-14(16)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13;1-2-4-6-7-5-3-1/h1-6,8H,7H2,(H,15,16);1-7H.
What are the key properties of 1H-azepine;9H-fluorene-2-carboxylic acid?
1H-azepine;9H-fluorene-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 174434519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).